Geometry & MOs

Info

ID:	432208
PubChem CID:	135172340
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	12.46
IP(EA), eV:	-9.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-1-methyl-6-oxo-3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)/C(=C/1\C(=C(C(=O)N=C1NC)C(=O)OC)O)/N

DOS

IR

Vibrations