Geometry & MOs

Info

ID:	222433
PubChem CID:	85300729
Reduced:	O6C17H28 (1)
Stoich.:	A6B17C28 (1)
Weight, g/mol:	334.19328
ΔH_f, kcal/mol:	-295.23
Dipole, Da:	2.54
IP(EA), eV:	-10.03(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2,3,4,4a,5,6,7a,8,9,10,11,11a-dodecahydrobenzo[a]xanthen-12-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C1CC(C=C1)OC(=O)C)C(COC(C)(C)C)O

DOS

IR

Vibrations