Geometry & MOs

Info

ID:	169324
PubChem CID:	75089495
Reduced:	NO2C4H7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	203.105862
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	5.47
IP(EA), eV:	-9.74(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclobutyl-4-methyl-1,3a-dihydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(C(C(CO)O)O)O

DOS

IR

Vibrations