Geometry & MOs

Info

ID:	226092
PubChem CID:	87322653
Reduced:	IF5N5H9C14 (1)
Stoich.:	AB5C5D9E14 (1)
Weight, g/mol:	451.983486
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	9.07
IP(EA), eV:	-9.29(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2,5,6-trichloro-1-[[3-(trifluoromethoxy)phenyl]methyl]indol-1-ium-1-yl]acetic acid

Drug info:

PubChemData

Smile

CN(C)/C=N\C1=C(C(=NN1C2=C(C=C(C=C2F)C(F)(F)F)F)C#N)I

DOS

IR

Vibrations