Geometry & MOs

Info

ID:	88627
PubChem CID:	49955775
Reduced:	ClNOSC17H23 (1)
Stoich.:	ABCDE17F23 (1)
Weight, g/mol:	230.094782
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	1.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750073
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C3=C(C=CS3)C4(O2)CN5CCC4CC5.[Cl-]

DOS

IR

Vibrations