Geometry & MOs

Info

ID:	330438
PubChem CID:	127247425
Reduced:	N5C17H27 (1)
Stoich.:	A5B17C27 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	46.05
Dipole, Da:	3.13
IP(EA), eV:	-8.8(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCCCN1C=C(C(=N1)C)CN2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations