Geometry & MOs

Info

ID:	156977
PubChem CID:	56404321
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	389.175084
ΔH_f, kcal/mol:	-130.33
Dipole, Da:	6.61
IP(EA), eV:	-9.03(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2OCCO2)C(=O)C3=CC=CN(C3=O)CC4=CC=CC=C4

DOS

IR

Vibrations