Geometry & MOs

Info

ID:	291898
PubChem CID:	113635236
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	3.77
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloropyridin-3-yl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC(=O)NC(=O)NCC=C

DOS

IR

Vibrations