Geometry & MOs

Info

ID:	306292
PubChem CID:	125003612
Reduced:	OSN3C17H27 (1)
Stoich.:	ABC3D17E27 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	4.76
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN([C@@H]1CC2(CCCCC2)N(C1)C)C(=O)C3=C(N=CS3)C

DOS

IR

Vibrations