Geometry & MOs

Info

ID:	142590
PubChem CID:	53063654
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-93.22
Dipole, Da:	3.56
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CN2CCN(C(=O)C2=O)CC3=CC=CC=C3

DOS

IR

Vibrations