Geometry & MOs

Info

ID:	126042
PubChem CID:	50949420
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	24.3
Dipole, Da:	3.83
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-propan-2-yl-4-[3-(pyridin-2-ylmethoxy)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)CN2C=NC(=C2C3CCOC3)C4=CC=CC=C4

DOS

IR

Vibrations