Geometry & MOs

Info

ID:	832
PubChem CID:	3413
Reduced:	O7C22H34 (1)
Stoich.:	A7B22C34 (1)
Weight, g/mol:	410.230453
ΔH_f, kcal/mol:	-325.88
Dipole, Da:	2.2
IP(EA), eV:	-9.87(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

DOS

IR

Vibrations