Geometry & MOs

Info

ID:	18894
PubChem CID:	550726
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	5.49
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-(4-methylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations