Geometry & MOs

Info

ID:	61464
PubChem CID:	26709748
Reduced:	ClNO4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-140.75
Dipole, Da:	6.57
IP(EA), eV:	-8.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C(=C2)Cl)OCC(C)C)OC

DOS

IR

Vibrations