Geometry & MOs

Info

ID:	405441
PubChem CID:	135073989
Reduced:	SN2O4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	287.142248
ΔH_f, kcal/mol:	-50.81
Dipole, Da:	5.56
IP(EA), eV:	-10.12(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-benzyl-2H-imidazol-1-ium-2-id-1-yl)-3-methyl-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)/C=N/S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations