Geometry & MOs

Info

ID:	130056
PubChem CID:	51074794
Reduced:	ON4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	104.52
Dipole, Da:	5.16
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C=NN2)/C=C(/C#N)\C3=CC=CC=N3

DOS

IR

Vibrations