Geometry & MOs

Info

ID:	274189
PubChem CID:	103807620
Reduced:	ClON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	13.34
Dipole, Da:	5.57
IP(EA), eV:	-9.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)C)C#N

DOS

IR

Vibrations