Geometry & MOs

Info

ID:	428527
PubChem CID:	135167577
Reduced:	O3H14C19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	282.049236
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	3.41
IP(EA), eV:	-8.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-difluorobenzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

CC1=CC2=CC3=C(C=C2C=C1)C(=O)C4=C(O3)C(=CC=C4)OC

DOS

IR

Vibrations