Geometry & MOs

Info

ID:	39678
PubChem CID:	8141854
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	372.14788
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	1.52
IP(EA), eV:	-9.03(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations