Geometry & MOs

Info

ID:	232978
PubChem CID:	87577855
Reduced:	SF3N4O4H19C23 (1)
Stoich.:	AB3C4D4E19F23 (1)
Weight, g/mol:	369.130026
ΔH_f, kcal/mol:	-229.55
Dipole, Da:	7.43
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CCN(C(=S)NC1=NC=C(C=C1)OC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations