Geometry & MOs

Info

ID:	316222
PubChem CID:	126630413
Reduced:	NH18C27 (2)
Stoich.:	AB18C27 (2)
Weight, g/mol:	713.283098
ΔH_f, kcal/mol:	226.0
Dipole, Da:	1.8
IP(EA), eV:	-7.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-10-[9-phenyl-8-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzo[c]carbazole

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C7C9=CC=CC=C9)C2=CC=CC=C2)C2=C1C1=CC=CC=C1C=C2

DOS

IR

Vibrations