Geometry & MOs

Info

ID:	393868
PubChem CID:	135021844
Reduced:	N4O5C13H22 (1)
Stoich.:	A4B5C13D22 (1)
Weight, g/mol:	395.210996
ΔH_f, kcal/mol:	-176.58
Dipole, Da:	2.25
IP(EA), eV:	-9.77(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]-1-hexylbenzimidazole

Drug info:

PubChemData

Smile

CC1(N(C[C@H](O1)[C@H](C(=O)OC)N=[N+]=[N-])C(=O)OC(C)(C)C)C

DOS

IR

Vibrations