Geometry & MOs

Info

ID:

13984

PubChem CID:

401311

Reduced:

ClON4C30H33 (1)

Stoich.:

ABC4D30E33 (1)

Weight, g/mol:

500.234289

ΔHf, kcal/mol:

24.86

Dipole, Da:

3.78

IP(EA), eV:

 -8.79(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[4-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)phenyl]furan-2-yl]phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7CCCCC7N6.Cl

DOS

IR

Vibrations