Geometry & MOs

Info

ID:	326423
PubChem CID:	126687524
Reduced:	O9H42C43 (1)
Stoich.:	A9B42C43 (1)
Weight, g/mol:	416.163711
ΔH_f, kcal/mol:	-263.06
Dipole, Da:	4.78
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)OC(=O)C2=CC3=C(C=C2)C=C(C=C3)OCCCCCCOC(=O)C=C)OC(C4=CC5=C(C=C4)C=C(C=C5)OC(=O)C=C)O

DOS

IR

Vibrations