Geometry & MOs

Info

ID:	22737
PubChem CID:	598426
Reduced:	BF2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	170.035066
ΔH_f, kcal/mol:	-210.23
Dipole, Da:	7.72
IP(EA), eV:	-9.8(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-difluoroboranyloxycyclohepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

B(OC1=CC=CC=CC1=O)(F)F

DOS

IR

Vibrations