Geometry & MOs

Info

ID:	27026
PubChem CID:	812836
Reduced:	NO5H13C17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-129.42
Dipole, Da:	2.33
IP(EA), eV:	-9.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)C(=O)/C=C/C(=O)O

DOS

IR

Vibrations