Geometry & MOs

Info

ID:	26042
PubChem CID:	636809
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	410.172939
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	2.19
IP(EA), eV:	-9.93(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,9-trihydroxy-6-methoxy-4,5-bis(3-methylbut-2-enyl)xanthen-1-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CC(C(=O)[C@@H]3C[C@@]3(C2=CC1=O)C)(C)C

DOS

IR

Vibrations