Geometry & MOs

Info

ID:	316228
PubChem CID:	126630421
Reduced:	N3H35C53 (1)
Stoich.:	A3B35C53 (1)
Weight, g/mol:	713.283098
ΔH_f, kcal/mol:	234.02
Dipole, Da:	3.36
IP(EA), eV:	-7.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=CC6=CC=CC=C65)C7=CC=CC=C7)C8=C1C=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1

DOS

IR

Vibrations