Geometry & MOs

Info

ID:	666
PubChem CID:	3165
Reduced:	ClNO2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	318.017412
ΔH_f, kcal/mol:	-138.49
Dipole, Da:	3.14
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O

DOS

IR

Vibrations