Geometry & MOs

Info

ID:	13362
PubChem CID:	227263
Reduced:	ClN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	302.066949
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	2.86
IP(EA), eV:	-9.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC(=N2)C(C(C(C(CO)O)O)O)O

DOS

IR

Vibrations