Geometry & MOs

Info

ID:	52710
PubChem CID:	12015749
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	4.3
IP(EA), eV:	-9.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.2]oct-5-enyl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C=C[C@@H]1CC[C@@H]2C=CC(=O)[C@@H]2C1

DOS

IR

Vibrations