Geometry & MOs

Info

ID:	323883
PubChem CID:	126676434
Reduced:	FON3H14C15 (2)
Stoich.:	ABC3D14E15 (2)
Weight, g/mol:	345.170194
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	7.3
IP(EA), eV:	-9.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(2,3-dihydro-1H-inden-2-ylmethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C3=CC(=CC=C3)N4C=NC=N4)C=C1C(=O)NC5(CCC(CC5)(F)F)C(=O)NC6(CC6)C#N

DOS

IR

Vibrations