Geometry & MOs

Info

ID:	24973
PubChem CID:	615814
Reduced:	OF3N3H8C9 (1)
Stoich.:	AB3C3D8E9 (1)
Weight, g/mol:	231.061946
ΔH_f, kcal/mol:	-135.33
Dipole, Da:	8.95
IP(EA), eV:	-9.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=O)C=C(N=C2N(N1)C)C(F)(F)F

DOS

IR

Vibrations