Geometry & MOs

Info

ID:

88595

PubChem CID:

49955640

Reduced:

ClNO2C13H21 (1)

Stoich.:

ABC2D13E21 (1)

Weight, g/mol:

346.13223

ΔHf, kcal/mol:

-50.92

Dipole, Da:

2.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

5-[[(2-methoxyphenyl)methylamino]methyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

CCCCNCC1=CC=C(C=C1)OCCO.[Cl-]

DOS

IR

Vibrations