Geometry & MOs

Info

ID:	398073
PubChem CID:	135031628
Reduced:	FO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	2.94
IP(EA), eV:	-8.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations