Geometry & MOs

Info

ID:	174872
PubChem CID:	75825818
Reduced:	ClSO4N5H14C17 (1)
Stoich.:	ABC4D5E14F17 (1)
Weight, g/mol:	187.083115
ΔH_f, kcal/mol:	1.93
Dipole, Da:	6.58
IP(EA), eV:	-9.83(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1-methyl-4-nitro-4H-imidazol-1-ium-5-yl)amino]ethanol

Drug info:

PubChemData

Smile

CC1(C(C(=NC(=O)C1C#N)SCC(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C#N)C

DOS

IR

Vibrations