Geometry & MOs

Info

ID:	53213
PubChem CID:	14709793
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	2.83
IP(EA), eV:	-8.41(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-(propa-1,2-dienylsulfinylmethyl)bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC#CSC[C@@]12CC[C@@H](C1(C)C)C[C@H]2O

DOS

IR

Vibrations