Geometry & MOs

Info

ID:	18122
PubChem CID:	538394
Reduced:	ClNO2C5H6 (1)
Stoich.:	ABC2D5E6 (1)
Weight, g/mol:	147.008706
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	2.69
IP(EA), eV:	-11.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-1-cyanoethyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CCl)C#N

DOS

IR

Vibrations