Geometry & MOs

Info

ID:	85860
PubChem CID:	49879785
Reduced:	N3O3H21C29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	456.098918
ΔH_f, kcal/mol:	48.74
Dipole, Da:	10.3
IP(EA), eV:	-8.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-(3-chlorophenyl)-2-cyano-3-[1-[(4-nitrophenyl)methyl]indol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)/C(=C\C2=C(C=CC3=CC=CC=C32)OCC4=CC=CC=C4C#N)/C#N

DOS

IR

Vibrations