Geometry & MOs

Info

ID:	323707
PubChem CID:	126675778
Reduced:	O2F3N8C23H31 (1)
Stoich.:	A2B3C8D23E31 (1)
Weight, g/mol:	345.170194
ΔH_f, kcal/mol:	-150.11
Dipole, Da:	6.19
IP(EA), eV:	-8.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CO)C(CC=O)C1=CC(=CC(=C1)CN=C/C(=C\N)/CC2=CC(=NC(=C2N)NN)N)C(F)(F)F

DOS

IR

Vibrations