Geometry & MOs

Info

ID:	371952
PubChem CID:	131282178
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	221.043656
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	3.82
IP(EA), eV:	-9.85(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxycarbonyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)NO1)CC(C#N)N

DOS

IR

Vibrations