Geometry & MOs

Info

ID:	383021
PubChem CID:	134974510
Reduced:	NO8C38H42 (1)
Stoich.:	AB8C38D42 (1)
Weight, g/mol:	226.074228
ΔH_f, kcal/mol:	-169.33
Dipole, Da:	4.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.461514
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)benzene-1,4-diol

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC3=CC2=C(C4=C1C=CC(=C4)OCCOCCOCCOC5=CC=CC=C5OCCOCCOCCO3)C6=CC=CC=C6

DOS

IR

Vibrations