Geometry & MOs

Info

ID:	132112
PubChem CID:	51308864
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	2.08
Dipole, Da:	4.55
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,4-dimethoxyphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(N(N=C3C)C)Cl)C

DOS

IR

Vibrations