Geometry & MOs

Info

ID:	268211
PubChem CID:	103598418
Reduced:	ClNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	-99.04
Dipole, Da:	5.26
IP(EA), eV:	-8.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methoxyphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=C1Cl)NC(=O)C=CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations