Geometry & MOs

Info

ID:	442118
PubChem CID:	135249911
Reduced:	N3H20C23 (2)
Stoich.:	A3B20C23 (2)
Weight, g/mol:	732.394046
ΔH_f, kcal/mol:	209.94
Dipole, Da:	2.31
IP(EA), eV:	-8.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)-6-[10-[6-(4,4,5,5-tetramethyl-2-phenylimidazol-1-yl)pyridin-2-yl]anthracen-9-yl]pyridine

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

CC1(CN(C(=N1)C2=NC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CN=C(C=C6)C7=NC(CN7C8=CC=CC=C8)(C)C)C9=CC=CC=C9)C

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

CC1(CN(C(=N1)C2=NC=C(C=C2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CN=C(C=C6)C7=NC(CN7C8=CC=CC=C8)(C)C)C9=CC=CC=C9)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):