Geometry & MOs

Info

ID:	317095
PubChem CID:	126632472
Reduced:	N5O6C30H43 (1)
Stoich.:	A5B6C30D43 (1)
Weight, g/mol:	713.283098
ΔH_f, kcal/mol:	-243.92
Dipole, Da:	5.52
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC[C@H](N1)C(=O)O[C@H](C)C2=CC3=CC(=NC=C3C=C2)OCC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC

DOS

IR

Vibrations