Geometry & MOs

Info

ID:	167044
PubChem CID:	74772118
Reduced:	O3N4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	3.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752905
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[(3-oxopiperazin-1-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)C[NH+]2CCNC(=O)C2

DOS

IR

Vibrations