Geometry & MOs

Info

ID:	374951
PubChem CID:	131407778
Reduced:	ClFNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	223.040006
ΔH_f, kcal/mol:	7.52
Dipole, Da:	2.24
IP(EA), eV:	-9.04(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(chloromethyl)-2-cyanophenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2F)CCl)CC#N

DOS

IR

Vibrations