Geometry & MOs

Info

ID:	326439
PubChem CID:	126687549
Reduced:	ClN2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	406.179361
ΔH_f, kcal/mol:	41.08
Dipole, Da:	5.1
IP(EA), eV:	-10.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3H-benzimidazol-5-yl)-2-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]oxyphenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C(=CN=C12)C#N)Cl

DOS

IR

Vibrations