Geometry & MOs

Info

ID:	428520
PubChem CID:	135167570
Reduced:	O4H14C19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	282.049236
ΔH_f, kcal/mol:	-84.93
Dipole, Da:	2.97
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-difluorobenzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=C4C=CC=C(C4=C3)OC

DOS

IR

Vibrations