Geometry & MOs

Info

ID:	426774
PubChem CID:	135153808
Reduced:	N4O5C19H20 (1)
Stoich.:	A4B5C19D20 (1)
Weight, g/mol:	331.058004
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	6.8
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC)OC(=O)NC2=O

DOS

IR

Vibrations