Geometry & MOs

Info

ID:	378605
PubChem CID:	134224697
Reduced:	ON4F8C22H24 (1)
Stoich.:	AB4C8D22E24 (1)
Weight, g/mol:	419.136923
ΔH_f, kcal/mol:	-406.64
Dipole, Da:	6.02
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2=C(C(=C(C=C2)F)F)C(F)(F)F)C(C3=NNC4=C3CCN(C4)CCC(F)(F)F)O

DOS

IR

Vibrations