Geometry & MOs

Info

ID:	314652
PubChem CID:	126622557
Reduced:	ClFC10H10 (1)
Stoich.:	ABC10D10 (1)
Weight, g/mol:	213.019271
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	1.61
IP(EA), eV:	-9.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamoyl-4-chlorophenyl)acetic acid

Drug info:

PubChemData

Smile

C/C(=C(/C)\F)/C1=CC(=CC=C1)Cl

DOS

IR

Vibrations