Geometry & MOs

Info

ID:	374952
PubChem CID:	131407825
Reduced:	ClNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	5.18
IP(EA), eV:	-10.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(chloromethyl)-4-cyanophenyl]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations