Geometry & MOs

Info

ID:	194747
PubChem CID:	78584862
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-61.25
Dipole, Da:	1.6
IP(EA), eV:	-8.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(2,3-dimethoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)C=CC3=CC(=CC(=C3)OC)OC)OC

DOS

IR

Vibrations