Geometry & MOs

Info

ID:	53212
PubChem CID:	14709791
Reduced:	OSC13H20 (1)
Stoich.:	ABC13D20 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-24.62
Dipole, Da:	1.95
IP(EA), eV:	-8.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1([C@@H](C2)O)CSC=C=C)C

DOS

IR

Vibrations