Geometry & MOs

Info

ID:	326186
PubChem CID:	126687016
Reduced:	ClSN2O2C20H23 (1)
Stoich.:	ABC2D2E20F23 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-57.76
Dipole, Da:	2.51
IP(EA), eV:	-8.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpiperidin-1-yl)but-3-en-1-one

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3Cl)O)CSC4=NC=C(C=C4)O

DOS

IR

Vibrations