Geometry & MOs

Info

ID:	152366
PubChem CID:	56311281
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-165.61
Dipole, Da:	8.87
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations