Geometry & MOs

Info

ID:

136085

PubChem CID:

51975390

Reduced:

NO3C20H34 (1)

Stoich.:

AB3C20D34 (1)

Weight, g/mol:

308.188863

ΔHf, kcal/mol:

-118.96

Dipole, Da:

2.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754807

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-2-[(1S)-1-phenylpropyl]benzimidazole

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCOC[C@@H](C[NH+]2CCCCCC2)O

DOS

IR

Vibrations