Geometry & MOs

Info

ID:	437669
PubChem CID:	135226776
Reduced:	O5C15H24 (1)
Stoich.:	A5B15C24 (1)
Weight, g/mol:	286.160266
ΔH_f, kcal/mol:	-233.52
Dipole, Da:	1.36
IP(EA), eV:	-9.96(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-2-methylsulfanyl-1-propylcyclohexyl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations