Geometry & MOs

Info

ID:	153245
PubChem CID:	56312408
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	456.192818
ΔH_f, kcal/mol:	-142.02
Dipole, Da:	6.24
IP(EA), eV:	-8.5(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations