Geometry & MOs

Info

ID:	165227
PubChem CID:	74519780
Reduced:	ClN3O3H18C24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	10.34
IP(EA), eV:	-8.89(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(3-methoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3Cl)C#N

DOS

IR

Vibrations