Geometry & MOs

Info

ID:	134082
PubChem CID:	51638601
Reduced:	FSN3O5C21H28 (1)
Stoich.:	ABC3D5E21F28 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-275.97
Dipole, Da:	8.93
IP(EA), eV:	-8.67(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)[C@@H](C)SCC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations