Geometry & MOs

Info

ID:	267767
PubChem CID:	103588726
Reduced:	BrO3N4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	354.00153
ΔH_f, kcal/mol:	51.77
Dipole, Da:	5.43
IP(EA), eV:	-10.0(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[2-(3-bromo-5-nitrophenoxy)-5-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations