Geometry & MOs

Info

ID:	314573
PubChem CID:	126622222
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	270.07529
ΔH_f, kcal/mol:	-125.6
Dipole, Da:	3.6
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpyrimidin-5-yl)-6-oxo-2H-indazole-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CCC=C)C(=O)C(=O)O

DOS

IR

Vibrations