Geometry & MOs

Info

ID:	57779
PubChem CID:	24277278
Reduced:	O3N5C9H9 (1)
Stoich.:	A3B5C9D9 (1)
Weight, g/mol:	235.070539
ΔH_f, kcal/mol:	-24.5
Dipole, Da:	3.64
IP(EA), eV:	-10.42(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=O)C(=NN2)C)C(=O)O

DOS

IR

Vibrations