Geometry & MOs

Info

ID:	316742
PubChem CID:	126631692
Reduced:	O4N6C31H44 (1)
Stoich.:	A4B6C31D44 (1)
Weight, g/mol:	1126.447144
ΔH_f, kcal/mol:	-161.12
Dipole, Da:	8.73
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[3,4-bis[3-(N-phenylanilino)carbazol-9-yl]cinnolin-6-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N3CCCC(N3)C(=O)N)C=C1C

DOS

IR

Vibrations