Geometry & MOs

Info

ID:	281241
PubChem CID:	103911627
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	288.099809
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	3.3
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC1=CC(=NC=C1)Cl

DOS

IR

Vibrations