Geometry & MOs

Info

ID:	398077
PubChem CID:	135031632
Reduced:	FO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	314.131823
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	2.97
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-7-methoxy-9-(2-methylbut-3-en-2-yl)xanthen-9-ol

Drug info:

PubChemData

Smile

CC(C)(C=C)C1(C2=C(C=CC=C2OC)OC3=C1C(=CC=C3)F)O

DOS

IR

Vibrations