Geometry & MOs

Info

ID:	18905
PubChem CID:	550844
Reduced:	N3C5H5O5 (1)
Stoich.:	A3B5C5D5 (1)
Weight, g/mol:	187.02292
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	3.19
IP(EA), eV:	-11.44(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-nitro-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)NC1=O)[N+](=O)[O-]

DOS

IR

Vibrations