Geometry & MOs

Info

ID:	14784
PubChem CID:	420722
Reduced:	O2N5H7C10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	229.059974
ΔH_f, kcal/mol:	79.09
Dipole, Da:	5.86
IP(EA), eV:	-8.49(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-2-ylideneamino)-1H-imidazole-4,5-diol

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC3=NC(=C(N3)O)O)N=C2C=C1

DOS

IR

Vibrations