Geometry & MOs

Info

ID:	48194
PubChem CID:	10537822
Reduced:	NO6H7C10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	237.049804
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	7.11
IP(EA), eV:	-10.68(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dimethyl-5,7-dioxopyrimido[5,4-e][1,2,4]triazine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C(=C/C(=O)C(=O)O)/O)[N+](=O)[O-]

DOS

IR

Vibrations