Geometry & MOs

Info

ID:	127903
PubChem CID:	51022284
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	324.136159
ΔH_f, kcal/mol:	-73.96
Dipole, Da:	3.09
IP(EA), eV:	-9.82(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R,12R)-6-hydroxy-3-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-trien-2-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CCCC[C@@H]1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)C1O)C=C3

DOS

IR

Vibrations