Geometry & MOs

Info

ID:	194404
PubChem CID:	78530472
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-83.14
Dipole, Da:	9.34
IP(EA), eV:	-9.06(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-(4-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC3CC3

DOS

IR

Vibrations