Geometry & MOs

Info

ID:	134122
PubChem CID:	51648217
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	386.16353
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	1.11
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CN=C(C=C1)N2CCOCC2)NC(=O)C

DOS

IR

Vibrations