Geometry & MOs

Info

ID:	131845
PubChem CID:	51268418
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-205.96
Dipole, Da:	4.75
IP(EA), eV:	-9.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CN(C1CCCC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations