Geometry & MOs

Info

ID:	318211
PubChem CID:	126649602
Reduced:	NF2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	292.118492
ΔH_f, kcal/mol:	-268.33
Dipole, Da:	5.94
IP(EA), eV:	-10.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-phenyltriazol-4-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C2CCN(CC2(F)F)C(=O)O

DOS

IR

Vibrations