Geometry & MOs

Info

ID:	304533
PubChem CID:	124756201
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	35.22
Dipole, Da:	5.19
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-phenylmethoxybutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1[C@H](C)C(=O)N2CC(C2)C3=NC=CS3)C

DOS

IR

Vibrations