Geometry & MOs

Info

ID:	283128
PubChem CID:	103959411
Reduced:	BrN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	323.0321
ΔH_f, kcal/mol:	3.03
Dipole, Da:	7.18
IP(EA), eV:	-9.36(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations