Geometry & MOs

Info

ID:	88753
PubChem CID:	49956514
Reduced:	NOCl2F3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	206.013944
ΔH_f, kcal/mol:	-105.38
Dipole, Da:	6.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.003512
Charge, e:	-1

Chem-info

IUPAC name:

2-(3-chlorophenoxy)ethanamine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C(F)(F)F)N)Cl.[Cl-]

DOS

IR

Vibrations