Geometry & MOs

Info

ID:

88593

PubChem CID:

49955637

Reduced:

ClN2O2C15H22 (1)

Stoich.:

AB2C2D15E22 (1)

Weight, g/mol:

351.158779

ΔHf, kcal/mol:

-41.24

Dipole, Da:

5.5

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750022

Charge, e:

 -1

Chem-info

IUPAC name:

1,3-dimethyl-5-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCCCN2CCCC2=O.[Cl-]

DOS

IR

Vibrations