Geometry & MOs

Info

ID:	283125
PubChem CID:	103959336
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	290.106671
ΔH_f, kcal/mol:	-9.0
Dipole, Da:	5.75
IP(EA), eV:	-9.77(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-fluoro-4-nitrophenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N

DOS

IR

Vibrations