Geometry & MOs

Info

ID:	316213
PubChem CID:	126630387
Reduced:	N3H33C49 (1)
Stoich.:	A3B33C49 (1)
Weight, g/mol:	663.267448
ΔH_f, kcal/mol:	217.71
Dipole, Da:	1.61
IP(EA), eV:	-7.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-7-(9-phenylcarbazol-2-yl)-1-(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=CC(=C5)C6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations