Geometry & MOs

Info

ID:	327904
PubChem CID:	126691284
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	755.293663
ΔH_f, kcal/mol:	42.74
Dipole, Da:	4.88
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(N-[4-[2,3-bis(ethenyl)-1-benzofuran-7-yl]phenyl]-4-phenylanilino)phenyl]carbazol-9-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=CN=CO5

DOS

IR

Vibrations