Geometry & MOs

Info

ID:	316223
PubChem CID:	126630414
Reduced:	N3H35C53 (1)
Stoich.:	A3B35C53 (1)
Weight, g/mol:	713.283098
ΔH_f, kcal/mol:	233.87
Dipole, Da:	1.66
IP(EA), eV:	-7.93(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzo[b]carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=CC=C5C6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C2=CC=CC=C2)C2=C1C=CC1=CC=CC=C12

DOS

IR

Vibrations