Geometry & MOs

Info

ID:	170268
PubChem CID:	75214650
Reduced:	OC3H4 (8)
Stoich.:	AB3C4 (8)
Weight, g/mol:	406.199153
ΔH_f, kcal/mol:	-334.09
Dipole, Da:	4.21
IP(EA), eV:	-10.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,9,10-trihydroxy-1,2',4a-trimethyl-5,8-dioxospiro[3,4,6,9,10,10a-hexahydro-2H-phenanthrene-7,1'-cyclopropane]-1-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1CC12C(C(=O)C3=C(C2=O)C(C(C4C3(CCCC4(C)COC(=O)C)C)OC(=O)C)O)O

DOS

IR

Vibrations