Geometry & MOs

Info

ID:	27021
PubChem CID:	811761
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	6.01
IP(EA), eV:	-8.44(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N(C)C)C(=O)NC3CC3

DOS

IR

Vibrations