Geometry & MOs

Info

ID:	88752
PubChem CID:	49956513
Reduced:	ClNC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	336.016979
ΔH_f, kcal/mol:	178.87
Dipole, Da:	1.98
IP(EA), eV:	-9.04(-8.33)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-chloro-4-methylphenoxy)-5-(trifluoromethyl)aniline;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCCCN.[Cl-].[Cl-]

DOS

IR

Vibrations