Geometry & MOs

Info

ID:	330290
PubChem CID:	127247277
Reduced:	FO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	4.22
IP(EA), eV:	-9.02(-0.28)
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-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N2CCCCC2C3=CC=NN3)F

DOS

IR

Vibrations