Geometry & MOs

Info

ID:

88575

PubChem CID:

49955466

Reduced:

ClSN5C19H23 (1)

Stoich.:

ABC5D19E23 (1)

Weight, g/mol:

330.137315

ΔHf, kcal/mol:

149.22

Dipole, Da:

5.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.809711

Charge, e:

 -1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNCCCSC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations