Geometry & MOs

Info

ID:	231899
PubChem CID:	87574867
Reduced:	NO2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	494.00129
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	3.33
IP(EA), eV:	-10.07(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)O.C1CN1

DOS

IR

Vibrations