Geometry & MOs

Info

ID:	153260
PubChem CID:	56312429
Reduced:	ON2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-35.52
Dipole, Da:	5.43
IP(EA), eV:	-8.81(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CCC#N)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations