Geometry & MOs

Info

ID:	319536
PubChem CID:	126656575
Reduced:	ON3H35C54 (1)
Stoich.:	AB3C35D54 (1)
Weight, g/mol:	768.314064
ΔH_f, kcal/mol:	222.57
Dipole, Da:	1.45
IP(EA), eV:	-7.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-N-phenyl-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-yl]phenyl]fluoren-2-amine

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)N2C3=C(C=C(C=C3)C4=C5C6=CC=CC=C6N(C5=C7C(=C4)C8=CC=CC=C8O7)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

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)N2C3=C(C=C(C=C3)C4=C5C6=CC=CC=C6N(C5=C7C(=C4)C8=CC=CC=C8O7)C9=CC=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):