Geometry & MOs

Info

ID:	340968
PubChem CID:	127263403
Reduced:	N2O2F3C10H11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-189.16
Dipole, Da:	2.04
IP(EA), eV:	-9.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-propan-2-yl-6,7-dihydro-4H-indazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C(CN1)C2=CC=CC=N2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations