Geometry & MOs

Info

ID:	163949
PubChem CID:	74381035
Reduced:	ClFON3C10H13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	462.264234
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	3.89
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]propoxy]-2-fluoro-N-(1-hydroxypropan-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CN=C(N)N)Cl)OCCF

DOS

IR

Vibrations