Geometry & MOs

Info

ID:	152712
PubChem CID:	56311767
Reduced:	ClN3O4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-136.24
Dipole, Da:	5.58
IP(EA), eV:	-8.21(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-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(=C(C=C3OC)OC)Cl

DOS

IR

Vibrations