Geometry & MOs

Info

ID:	27022
PubChem CID:	812591
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-17.3
Dipole, Da:	5.28
IP(EA), eV:	-9.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC[C@H]1C2=NC(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations