Geometry & MOs

Info

ID:	338660
PubChem CID:	127259671
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	6.28
Dipole, Da:	7.95
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations