Geometry & MOs

Info

ID:	57778
PubChem CID:	24277277
Reduced:	O3N5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	235.070539
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	2.81
IP(EA), eV:	-10.04(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NNC(=NC1=O)N2C3=C(CCCC3)C(=N2)C(=O)O

DOS

IR

Vibrations