Geometry & MOs

Info

ID:	322289
PubChem CID:	126669612
Reduced:	ClN8O9C37H53 (1)
Stoich.:	AB8C9D37E53 (1)
Weight, g/mol:	311.117095
ΔH_f, kcal/mol:	-383.53
Dipole, Da:	6.97
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3H-benzimidazol-5-yl)-6-pyridin-4-ylbenzimidazole

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CN(CC[C@H](C(=O)O)NC(=O)OC(C)(C)C)CCN(CCC5=CC=C(C=C5)Cl)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations