Geometry & MOs

Info

ID:	341002
PubChem CID:	127263437
Reduced:	Br2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	268.025084
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	2.89
IP(EA), eV:	-9.68(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylimidazole-4,5-dicarboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Br)Br)OCCCC(=O)O

DOS

IR

Vibrations