Geometry & MOs

Info

ID:	51529
PubChem CID:	12014212
Reduced:	OC13H14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	0.13
Dipole, Da:	1.98
IP(EA), eV:	-9.3(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,8S,9R,11S)-10-tetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-trienyl]methanol

Drug info:

PubChemData

Smile

C=C[C@@H]1[C@@H]2C[C@@H]([C@H]1C3=CC=CC=C23)O

DOS

IR

Vibrations