Geometry & MOs

Info

ID:	288501
PubChem CID:	104317818
Reduced:	ClNSO2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-77.38
Dipole, Da:	6.9
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-hydroxybutyl)piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(CCOC1=C(C=CC(=C1)Cl)C(=S)N)O

DOS

IR

Vibrations