Geometry & MOs

Info

ID:	131047
PubChem CID:	51148727
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	5.0
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-5-oxo-N-(1-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C(=O)NC(C)C2=CC=NC=C2)OC

DOS

IR

Vibrations