Geometry & MOs

Info

ID:	385685
PubChem CID:	134979731
Reduced:	Cl2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	256.094688
ΔH_f, kcal/mol:	135.94
Dipole, Da:	2.16
IP(EA), eV:	-9.84(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,5S)-2,5-diacetyloxycyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CC12C3(CC3)C4(C25CC5)C6(C4(Cl)Cl)C7(CC7)C8(C69CC9)CC8

DOS

IR

Vibrations