Geometry & MOs

Info

ID:	243407
PubChem CID:	99222761
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-82.65
Dipole, Da:	8.02
IP(EA), eV:	-8.33(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-ethyl-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN(C1=CN=C(C=C1)OC)C(=O)[C@H]2CCCN(C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations