Geometry & MOs

Info

ID:	204251
PubChem CID:	79936071
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	7.17
IP(EA), eV:	-8.52(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-2-(4-methyl-2,5-dioxopiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)N2CC3CCCN3CC2C)C=O

DOS

IR

Vibrations