Geometry & MOs

Info

ID:	374954
PubChem CID:	131407829
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-55.09
Dipole, Da:	5.96
IP(EA), eV:	-10.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(chloromethyl)-4-cyanophenyl]propanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCl)CCC(=O)O)C#N

DOS

IR

Vibrations