Geometry & MOs

Info

ID:	377661
PubChem CID:	134223725
Reduced:	ON2H17C29 (2)
Stoich.:	AB2C17D29 (2)
Weight, g/mol:	818.268176
ΔH_f, kcal/mol:	231.71
Dipole, Da:	1.35
IP(EA), eV:	-8.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4,6-diphenylpyrimidin-2-yl)-9-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=C6C=CC(=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)OC7=C6C=CC(=C7)C8=CC9=C(C=C8)N(C1=C9C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):