Geometry & MOs

Info

ID:	348372
PubChem CID:	127273437
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	-21.77
Dipole, Da:	1.95
IP(EA), eV:	-9.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations