Geometry & MOs

Info

ID:	318063
PubChem CID:	126648792
Reduced:	FN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	377.071129
ΔH_f, kcal/mol:	-116.44
Dipole, Da:	1.73
IP(EA), eV:	-9.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC=C(C=C2)F)C(=O)NC3CC3

DOS

IR

Vibrations