Geometry & MOs

Info

ID:	246083
PubChem CID:	103043332
Reduced:	ClNF3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	280.077869
ΔH_f, kcal/mol:	-114.73
Dipole, Da:	3.76
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(3-methoxypyridin-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(CC2=CC(=C(C=C2)F)Cl)N)F

DOS

IR

Vibrations