Geometry & MOs

Info

ID:	162881
PubChem CID:	57578246
Reduced:	NOH6C12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	442.215747
ΔH_f, kcal/mol:	109.03
Dipole, Da:	6.71
IP(EA), eV:	-9.56(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-[[10-(1,3-dihydroimidazol-2-ylidene)anthracen-9-ylidene]-(1-methylpyridin-1-ium-4-yl)methyl]-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C(C=C2)C4=CC=CC=C4)C(=O)C(=C(C#N)C#N)C3=O

DOS

IR

Vibrations