Geometry & MOs

Info

ID:	374022
PubChem CID:	131322421
Reduced:	O2F3N3H6C8 (1)
Stoich.:	A2B3C3D6E8 (1)
Weight, g/mol:	310.921
ΔH_f, kcal/mol:	-180.52
Dipole, Da:	5.38
IP(EA), eV:	-9.22(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-3-chloro-2-iodophenyl)acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=N1)OC(F)(F)F)O)CC#N)N

DOS

IR

Vibrations