Geometry & MOs

Info

ID:	398074
PubChem CID:	135031629
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	302.111836
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	2.72
IP(EA), eV:	-8.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-9-(2-methylbut-3-en-2-yl)xanthen-9-ol

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC2=C1C(=O)C3=CC=CC=C3O2)OC)C

DOS

IR

Vibrations