Geometry & MOs

Info

ID:	142591
PubChem CID:	53063804
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	4.49
IP(EA), eV:	-9.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CC(=O)NC(C)C

DOS

IR

Vibrations