Geometry & MOs

Info

ID:	297485
PubChem CID:	117618833
Reduced:	O2N9C37H47 (1)
Stoich.:	A2B9C37D47 (1)
Weight, g/mol:	531.224795
ΔH_f, kcal/mol:	37.57
Dipole, Da:	10.6
IP(EA), eV:	-8.57(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-bis[4-[2-(4-fluorophenyl)ethynyl]-2,6-dimethylphenyl]-4,5-dihydroimidazol-1-ium-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=C(C=C5)C6=CN(N=N6)CCN7CCCNCCNCCCNCC7

DOS

IR

Vibrations