Geometry & MOs

Info

ID:	25464
PubChem CID:	625393
Reduced:	O2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	5.13
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-triene-3,4-diol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C2C(=C1O)C3CC4C2(CCCC4(C)C)C(=O)O3)O

DOS

IR

Vibrations