Geometry & MOs

Info

ID:

174449

PubChem CID:

75765290

Reduced:

ClON3C14H15 (1)

Stoich.:

ABC3D14E15 (1)

Weight, g/mol:

276.090365

ΔHf, kcal/mol:

41.8

Dipole, Da:

7.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.052892

Charge, e:

 1

Chem-info

IUPAC name:

1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethylazanium

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1CC3=CC=CO3)C=C(C=C2)Cl)[NH3+]

DOS

IR

Vibrations