Geometry & MOs

Info

ID:	152937
PubChem CID:	56312032
Reduced:	N4O4C27H30 (1)
Stoich.:	A4B4C27D30 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-97.09
Dipole, Da:	5.16
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4

DOS

IR

Vibrations