Geometry & MOs

Info

ID:	159005
PubChem CID:	57244508
Reduced:	ON2C32H38 (1)
Stoich.:	AB2C32D38 (1)
Weight, g/mol:	241.90921
ΔH_f, kcal/mol:	16.77
Dipole, Da:	3.89
IP(EA), eV:	-8.33(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-hydroxy-1H-imidazol-2-yl)phosphonic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCCCC2=C1)CN[C@@H]3[C@@H](N4CCC3CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations