Geometry & MOs

Info

ID:	398075
PubChem CID:	135031630
Reduced:	FOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	282.105608
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	2.23
IP(EA), eV:	-9.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1-(3-methylbut-2-enyl)xanthen-9-one

Drug info:

PubChemData

Smile

CC(C)(C=C)C1(C2=CC=CC=C2OC3=C1C(=CC(=C3)F)F)O

DOS

IR

Vibrations