Geometry & MOs

Info

ID:	180978
PubChem CID:	76713160
Reduced:	O2F3N5C21H22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	391.125609
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	5.63
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=NN=C(N1C)C2=CC=CC=C2C(F)(F)F)OC3=CC=C(C=C3)C(=NOC)N

DOS

IR

Vibrations