Geometry & MOs

Info

ID:	218637
PubChem CID:	85089737
Reduced:	O6C29H44 (1)
Stoich.:	A6B29C44 (1)
Weight, g/mol:	488.313789
ΔH_f, kcal/mol:	-297.25
Dipole, Da:	1.91
IP(EA), eV:	-9.61(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,12-dihydroxy-4,6a,6b,11,12-pentamethyl-2,3,4a,5,6,7,8,9,10,11,12a,14,14a,14b-tetradecahydro-1H-picene-4,8a-dicarboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C=C1CC2CC(C(C2C1)C=CC(C3CCCC3)OC4CCCCO4)OC5CCCCO5

DOS

IR

Vibrations