Geometry & MOs

Info

ID:	222434
PubChem CID:	85300731
Reduced:	O2C23H26 (1)
Stoich.:	A2B23C26 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	3.1
IP(EA), eV:	-8.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,11-dimethyl-5-(phenylmethoxymethyl)bicyclo[4.4.1]undeca-7,9-diene-3,4-diol

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C3=C(O2)CC(C4C3=CCCC4)C5=CC=CC=C5

DOS

IR

Vibrations