Geometry & MOs

Info

ID:	45440
PubChem CID:	10513432
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	226.050905
ΔH_f, kcal/mol:	-126.83
Dipole, Da:	4.05
IP(EA), eV:	-9.82(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-1H-imidazol-3-ium-2-yl)-phenylmethanol;chloride

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CC(C#N)C(=O)OCC

DOS

IR

Vibrations