Geometry & MOs

Info

ID:	399441
PubChem CID:	135040294
Reduced:	NCl2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	184.157563
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	2.32
IP(EA), eV:	-9.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(C(C2=O)Cl)Cl)O

DOS

IR

Vibrations