Geometry & MOs

Info

ID:	298410
PubChem CID:	117649339
Reduced:	NH13C19 (3)
Stoich.:	AB13C19 (3)
Weight, g/mol:	699.267448
ΔH_f, kcal/mol:	234.59
Dipole, Da:	0.77
IP(EA), eV:	-7.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2N1C1=CC=CC=C1)C1=CC=CC=C14)C

DOS

IR

Vibrations