Geometry & MOs

Info

ID:	58377
PubChem CID:	24698087
Reduced:	ClNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	5.59
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)O)SCC(=O)NC1=CC=CC=C1Cl

DOS

IR

Vibrations