Geometry & MOs

Info

ID:

85819

PubChem CID:

49879538

Reduced:

ClO2N3H13C16 (1)

Stoich.:

AB2C3D13E16 (1)

Weight, g/mol:

400.17918

ΔHf, kcal/mol:

22.82

Dipole, Da:

4.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782774

Charge, e:

 -1

Chem-info

IUPAC name:

N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]formamide;chloride

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC(=C1)NC2=NC=NC3=CC=CC=C32.[Cl-]

DOS

IR

Vibrations