Geometry & MOs

Info

ID:	218669
PubChem CID:	85089787
Reduced:	BrON3C8H13 (2)
Stoich.:	ABC3D8E13 (2)
Weight, g/mol:	332.196074
ΔH_f, kcal/mol:	77.12
Dipole, Da:	43.91
IP(EA), eV:	-6.64(-3.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[6-[3-methyl-2-(nitrosomethylidene)imidazol-1-yl]hexyl]-2-(nitrosomethylidene)imidazole

Drug info:

PubChemData

Smile

CN1C=CN(C1=C[NH+]=O)CCCCCCN2C=CN(C2=C[NH+]=O)C.[Br-].[Br-]

DOS

IR

Vibrations