Geometry & MOs

Info

ID:	267768
PubChem CID:	103588794
Reduced:	BrFN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	337.0062
ΔH_f, kcal/mol:	-39.01
Dipole, Da:	5.17
IP(EA), eV:	-9.72(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(3-bromo-5-nitrophenoxy)pyridin-2-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)F)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)N

DOS

IR

Vibrations