Geometry & MOs

Info

ID:	165222
PubChem CID:	74519775
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	357.051634
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	3.48
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-nitrophenyl)-2-cyano-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)OC)C#N

DOS

IR

Vibrations