Geometry & MOs

Info

ID:	133749
PubChem CID:	51585995
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	358.168615
ΔH_f, kcal/mol:	-64.64
Dipole, Da:	4.82
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-4-ium-1-yl)-N-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O[C@H](C)C(=O)N[C@@H](C)CC2=CC=CC=N2)C

DOS

IR

Vibrations