Geometry & MOs

Info

ID:	428490
PubChem CID:	135167540
Reduced:	O4H12C19 (1)
Stoich.:	A4B12C19 (1)
Weight, g/mol:	282.049236
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	1.3
IP(EA), eV:	-8.94(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,8-difluorobenzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC2=CC3=C(C=C21)C(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations