Geometry & MOs

Info

ID:	85490
PubChem CID:	49875989
Reduced:	BrON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	224.004523
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	3.42
IP(EA), eV:	-9.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenoxy)ethanamine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2=NC(=C(C=C2)Br)C

DOS

IR

Vibrations