Geometry & MOs

Info

ID:	425120
PubChem CID:	135125220
Reduced:	FOCl2N2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	395.089304
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	4.59
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[3-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]cyclobutyl]oxypyridin-3-yl]-1,2-oxazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=CC=C2)C3=CC4=C(C(=C3)F)OC5(CC4)CCNCC5.Cl.Cl

DOS

IR

Vibrations