Geometry & MOs

Info

ID:	306405
PubChem CID:	125011603
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	388.164774
ΔH_f, kcal/mol:	69.05
Dipole, Da:	7.02
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=NN=C(O2)C3=NC=CC4=CC=CC=C43)C(=O)CN5C=CC=N5

DOS

IR

Vibrations