Geometry & MOs

Info

ID:	122141
PubChem CID:	50796062
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	4.25
IP(EA), eV:	-8.45(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[6-ethoxy-3,4-dimethyl-1-(3-methylphenyl)pyrazolo[3,4-b]pyridin-5-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)NC3CCCCC3)C)C(=NN2C4=CC=CC(=C4)C)C

DOS

IR

Vibrations