Geometry & MOs

Info

ID:	176437
PubChem CID:	76049113
Reduced:	N4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	97.62
Dipole, Da:	5.36
IP(EA), eV:	-8.99(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-6-methyl-3H-pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1(CNCC2CNNC2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations