Geometry & MOs

Info

ID:	52359
PubChem CID:	12015200
Reduced:	ClO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	257.089937
ΔH_f, kcal/mol:	-153.91
Dipole, Da:	2.63
IP(EA), eV:	-9.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-2,3-diacetyloxy-4-cyanobutyl] acetate

Drug info:

PubChemData

Smile

CCOCCOC(=O)C(C)Cl

DOS

IR

Vibrations