Geometry & MOs

Info

ID:	141434
PubChem CID:	52877378
Reduced:	Cl2O2N3C20H25 (1)
Stoich.:	A2B2C3D20E25 (1)
Weight, g/mol:	462.275667
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	9.42
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S,6S)-6-(2-methoxyphenyl)-1-(4-methylphenyl)-5-[(3S)-3-pyrrolidin-1-ium-1-ylpyrrolidine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)[C@H]2CCN(C2)C(=O)[C@H]3CCCN3C(=O)C4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations