Geometry & MOs

Info

ID:	299633
PubChem CID:	117688230
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	299.068175
ΔH_f, kcal/mol:	-156.6
Dipole, Da:	4.99
IP(EA), eV:	-10.19(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-1-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[C@@H]1NC(=O)O)O

DOS

IR

Vibrations