Geometry & MOs

Info

ID:	52712
PubChem CID:	12015751
Reduced:	OC12H18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	-37.66
Dipole, Da:	2.16
IP(EA), eV:	-9.87(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CC[C@H]2[C@@H]1C(C=C2)O)C=C

DOS

IR

Vibrations