Geometry & MOs

Info

ID:	352540
PubChem CID:	127283628
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-92.74
Dipole, Da:	4.25
IP(EA), eV:	-9.43(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(4-methylidenepiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCOCC2

DOS

IR

Vibrations