Geometry & MOs

Info

ID:	270325
PubChem CID:	103636047
Reduced:	NOF4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	300.088576
ΔH_f, kcal/mol:	-241.1
Dipole, Da:	5.95
IP(EA), eV:	-8.79(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(6-methoxypyridin-3-yl)methyl]-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=C(C=C2)C(F)(F)F)F)CO

DOS

IR

Vibrations