Geometry & MOs

Info

ID:	53211
PubChem CID:	14709790
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	1.86
IP(EA), eV:	-8.5(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7,7-dimethyl-1-(propa-1,2-dienylsulfanylmethyl)bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)O)CSC=C=C)C

DOS

IR

Vibrations