Geometry & MOs

Info

ID:	394866
PubChem CID:	135024007
Reduced:	FNH22C30 (1)
Stoich.:	ABC22D30 (1)
Weight, g/mol:	164.025563
ΔH_f, kcal/mol:	77.21
Dipole, Da:	3.26
IP(EA), eV:	-9.04(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-methyl-1H-imidazole-1,3-diium-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CC(=C(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations