Geometry & MOs

Info

ID:	410392
PubChem CID:	135083187
Reduced:	ClSC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	200.214016
ΔH_f, kcal/mol:	37.88
Dipole, Da:	2.98
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane;(1R,2R,4R)-2-methoxy-4-methyl-1-propylcyclohexane

Drug info:

PubChemData

Smile

CCCCSC=C=C(C1=CC=CC=C1)Cl

DOS

IR

Vibrations