Geometry & MOs

Info

ID:	142592
PubChem CID:	53063852
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	4.4
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2CCN(C(=O)C2=O)CC3=CC=CC=C3C

DOS

IR

Vibrations