Geometry & MOs

Info

ID:	244809
PubChem CID:	99381484
Reduced:	Cl2O2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	371.220892
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(3S)-1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CC(=O)N)C(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)Cl

DOS

IR

Vibrations