Geometry & MOs

Info

ID:	231760
PubChem CID:	87574611
Reduced:	O2N3F6C17H19 (1)
Stoich.:	A2B3C6D17E19 (1)
Weight, g/mol:	416.090781
ΔH_f, kcal/mol:	-383.2
Dipole, Da:	10.02
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethyl)-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C1=CC(=C(C=C1)C#N)C(F)(F)F

DOS

IR

Vibrations