Geometry & MOs

Info

ID:	432978
PubChem CID:	135173115
Reduced:	F2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	362.087827
ΔH_f, kcal/mol:	-130.58
Dipole, Da:	4.84
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,5-dihydro-2,4-benzodioxepin-3-yl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC(=C1)C2=C(C=C(C=C2)F)F)OC

DOS

IR

Vibrations