Geometry & MOs

Info

ID:	282754
PubChem CID:	103938032
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	20.38
Dipole, Da:	5.41
IP(EA), eV:	-9.53(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(4-fluoro-3-methylphenoxy)pyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@H](C1=NC=C(C=C1)OC2=C(C=CC=C2Br)[N+](=O)[O-])N

DOS

IR

Vibrations