Geometry & MOs

Info

ID:	402713
PubChem CID:	135056989
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	228.118401
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	3.47
IP(EA), eV:	-8.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-propan-2-ylsulfanylcyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)OC)(CC=C)O

DOS

IR

Vibrations