Geometry & MOs

Info

ID:	134124
PubChem CID:	51648759
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	476.15488
ΔH_f, kcal/mol:	-12.79
Dipole, Da:	4.26
IP(EA), eV:	-8.66(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-benzylpiperazin-4-ium-1-yl)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1CC1)N(C)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations