Geometry & MOs

Info

ID:	431611
PubChem CID:	135171699
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	804.350449
ΔH_f, kcal/mol:	-29.83
Dipole, Da:	2.66
IP(EA), eV:	-8.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-[3-[3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenylphenyl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC#N)[N+](=O)[O-]

DOS

IR

Vibrations