Geometry & MOs

Info

ID:	374178
PubChem CID:	131325096
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	258.977854
ΔH_f, kcal/mol:	48.86
Dipole, Da:	4.42
IP(EA), eV:	-10.08(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-2,2,2-trifluoroethyl)-2,4-dichlorophenol

Drug info:

PubChemData

Smile

CC1C(=O)N=C(C(=N1)N)C#N

DOS

IR

Vibrations