Geometry & MOs

Info

ID:	152458
PubChem CID:	56311389
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	6.68
IP(EA), eV:	-8.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations