Geometry & MOs

Info

ID:	38601
PubChem CID:	8137190
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	352.118985
ΔH_f, kcal/mol:	-158.82
Dipole, Da:	2.5
IP(EA), eV:	-9.15(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)OC1=CC=CC=C1

DOS

IR

Vibrations