Geometry & MOs

Info

ID:	183113
PubChem CID:	76980042
Reduced:	SO3N5C11H17 (1)
Stoich.:	AB3C5D11E17 (1)
Weight, g/mol:	312.062533
ΔH_f, kcal/mol:	-46.39
Dipole, Da:	4.02
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chloro-2-nitrophenoxy)piperidin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=C(C=CC=N2)C(=NO)N

DOS

IR

Vibrations