Geometry & MOs

Info

ID:	129298
PubChem CID:	51072209
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	194.069142
ΔH_f, kcal/mol:	-165.99
Dipole, Da:	1.8
IP(EA), eV:	-9.7(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-oxo-6,7-dihydro-4H-indazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(=O)CCN1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations