Geometry & MOs

Info

ID:	6797
PubChem CID:	70033
Reduced:	ClNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	3.3
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(C1)CCC(=O)C2=CC=CC=C2.Cl

DOS

IR

Vibrations