Geometry & MOs

Info

ID:	220575
PubChem CID:	85197860
Reduced:	O5C19H24 (1)
Stoich.:	A5B19C24 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	-176.6
Dipole, Da:	3.34
IP(EA), eV:	-9.41(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-7-methyl-8-methylidene-6-phenyl-2,3,4,4a,5,6,7,9a-octahydro-1H-xanthen-9-one

Drug info:

PubChemData

Smile

CC1=CCC2C3C(COC(O3)C4=CC=CC=C4)OC(C2OC1)OC

DOS

IR

Vibrations