Geometry & MOs

Info

ID:	32226
PubChem CID:	6435993
Reduced:	Cl2N4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	334.259343
ΔH_f, kcal/mol:	22.78
Dipole, Da:	8.21
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(E)-4-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)but-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

C1N2CN3CN1C[N+](C2)(C3)C/C=C\Cl.[Cl-]

DOS

IR

Vibrations