Geometry & MOs

Info

ID:	85383
PubChem CID:	49874650
Reduced:	FSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	214.099867
ΔH_f, kcal/mol:	-165.32
Dipole, Da:	4.97
IP(EA), eV:	-8.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(3,4-dimethylphenoxy)propan-2-amine;chloride

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)N)S(=O)(=O)C3=CC=C(C=C3)F)N(C(=O)C1=O)CC

DOS

IR

Vibrations