Geometry & MOs

Info

ID:	174888
PubChem CID:	75826604
Reduced:	O2C4H7 (3)
Stoich.:	A2B4C7 (3)
Weight, g/mol:	455.243364
ΔH_f, kcal/mol:	-249.37
Dipole, Da:	3.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777742
Charge, e:	-1

Chem-info

IUPAC name:

8-benzoyloxy-7-hydroxy-5-(5-hydroxy-3-methylpent-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(OC(O1)CCC(C(C)O)O)CCC(=O)[O-]

DOS

IR

Vibrations