Geometry & MOs

Info

ID:	297298
PubChem CID:	117614650
Reduced:	ClN2H5C9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	273.05769
ΔH_f, kcal/mol:	71.09
Dipole, Da:	4.2
IP(EA), eV:	-10.24(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C#N)C#N

DOS

IR

Vibrations