Geometry & MOs

Info

ID:	257575
PubChem CID:	103147179
Reduced:	O3F5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	286.101665
ΔH_f, kcal/mol:	-375.88
Dipole, Da:	2.08
IP(EA), eV:	-9.65(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)CCOCC(F)F)OC(F)(F)F

DOS

IR

Vibrations