Geometry & MOs

Info

ID:	189555
PubChem CID:	77872409
Reduced:	ClN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	429.99311
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	6.49
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-bromo-2-chlorophenoxy)ethyl]-2-methyl-1H-imidazole;but-2-enedioic acid

Drug info:

PubChemData

Smile

CC(CNCCCOC1=CC=CC2=NC(=O)C=CC21)CO.Cl

DOS

IR

Vibrations