Geometry & MOs

Info

ID:	190569
PubChem CID:	78021430
Reduced:	NOSC20H29 (1)
Stoich.:	ABCD20E29 (1)
Weight, g/mol:	355.029747
ΔH_f, kcal/mol:	-57.83
Dipole, Da:	2.28
IP(EA), eV:	-8.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-6-(2,4-dichlorocyclohexa-2,4-dien-1-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)NC(C3C2OCCC3)C4CCSC4

DOS

IR

Vibrations