Geometry & MOs

Info

ID:	387701
PubChem CID:	134986479
Reduced:	NO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	252.058693
ΔH_f, kcal/mol:	-71.28
Dipole, Da:	6.04
IP(EA), eV:	-8.07(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-3-ethylsulfanyl-4-oxohexyl) acetate

Drug info:

PubChemData

Smile

CC(=C1C=C(CC(=O)O1)N(C)C)C

DOS

IR

Vibrations