Geometry & MOs

Info

ID:	264566
PubChem CID:	103470301
Reduced:	SO3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	294.144038
ΔH_f, kcal/mol:	64.41
Dipole, Da:	3.79
IP(EA), eV:	-9.07(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-[6-(3,4-dimethylpiperazin-1-yl)-3-nitro-1H-pyridin-2-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CN(CC1=CSC=C1)C2=C(C=C(C=N2)/C(=N/O)/N)[N+](=O)[O-]

DOS

IR

Vibrations