Geometry & MOs

Info

ID:	57775
PubChem CID:	24277271
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	234.07529
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	7.54
IP(EA), eV:	-10.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC(=O)N=C(N1)N2C(=C(C=N2)C(=O)O)C

DOS

IR

Vibrations