Geometry & MOs

Info

ID:	432979
PubChem CID:	135173116
Reduced:	N2F3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	367.07799
ΔH_f, kcal/mol:	-151.02
Dipole, Da:	5.19
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-en-6-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2COC(O1)C3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations