Geometry & MOs

Info

ID:	53210
PubChem CID:	14709789
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	2.35
IP(EA), eV:	-8.93(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1([C@@H](C2)O)CSCC#C)C

DOS

IR

Vibrations