Geometry & MOs

Info

ID:	241072
PubChem CID:	93621540
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-65.32
Dipole, Da:	4.62
IP(EA), eV:	-8.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)OCC(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations