Geometry & MOs

Info

ID:	127732
PubChem CID:	51013154
Reduced:	O6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-247.9
Dipole, Da:	6.65
IP(EA), eV:	-10.17(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S)-bicyclo[4.4.1]undeca-3,7,9-trien-2-ol

Drug info:

PubChemData

Smile

CC(C)[C@]1([C@H]2[C@H]3[C@H](C=C([C@]3([C@H]([C@@H]1OC2=O)O)C)CO)O)O

DOS

IR

Vibrations