Geometry & MOs

Info

ID:	433062
PubChem CID:	135173199
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	197.03559
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	4.6
IP(EA), eV:	-9.46(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1,5-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)CC2(C(C)C)C(C)C

DOS

IR

Vibrations