Geometry & MOs

Info

ID:	306293
PubChem CID:	125003635
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	0.67
IP(EA), eV:	-9.76(-0.4)
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-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CCC(=O)N2CCC[C@H](C2)C3=NC=NC=C3

DOS

IR

Vibrations