Geometry & MOs

Info

ID:	151757
PubChem CID:	56310504
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	4.2
IP(EA), eV:	-8.83(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations