Geometry & MOs

Info

ID:	324519
PubChem CID:	126677806
Reduced:	OF3N5H10C13 (1)
Stoich.:	AB3C5D10E13 (1)
Weight, g/mol:	303.148396
ΔH_f, kcal/mol:	-91.02
Dipole, Da:	1.79
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC(=NC3=NNN=C23)N)OC(F)(F)F

DOS

IR

Vibrations