Geometry & MOs

Info

ID:	244215
PubChem CID:	99319438
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	2.88
IP(EA), eV:	-8.86(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@H]1CCCN(C1)C(=O)CCCOC2=CC=CC=C2Cl

DOS

IR

Vibrations