Geometry & MOs

Info

ID:	447243
PubChem CID:	135281414
Reduced:	NCl2O4C30H31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	371.050474
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	6.88
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC5(CC5)COC)O

DOS

IR

Vibrations