Geometry & MOs

Info

ID:	191673
PubChem CID:	78175922
Reduced:	N3O3C6H11 (1)
Stoich.:	A3B3C6D11 (1)
Weight, g/mol:	273.03857
ΔH_f, kcal/mol:	-124.54
Dipole, Da:	2.6
IP(EA), eV:	-9.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-10aH-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC(=O)NC(N1)N

DOS

IR

Vibrations