Geometry & MOs

Info

ID:	55009
PubChem CID:	17389653
Reduced:	ClKSO2H4C9 (1)
Stoich.:	ABCD2E4F9 (1)
Weight, g/mol:	225.128427
ΔH_f, kcal/mol:	-95.56
Dipole, Da:	9.83
IP(EA), eV:	-8.23(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylpropyl)pyrrolidine;hydrochloride

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)SC(=C2)C(=O)[O-].[K+]

DOS

IR

Vibrations