Geometry & MOs

Info

ID:	53378
PubChem CID:	14710847
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-51.38
Dipole, Da:	1.2
IP(EA), eV:	-9.05(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,11-dimethylbicyclo[4.4.1]undeca-3,7,9-triene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C=C[C@@H]([C@@H]2C=CC=C[C@H]1[C@H]2C)C(=O)OC

DOS

IR

Vibrations