Geometry & MOs

Info

ID:

195600

PubChem CID:

78708163

Reduced:

O2N3C19H28 (1)

Stoich.:

A2B3C19D28 (1)

Weight, g/mol:

364.191269

ΔHf, kcal/mol:

-67.37

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.950709

Charge, e:

 1

Chem-info

IUPAC name:

6-hydroxy-2-[(4-methylphenyl)methylidene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH2+]CCC2=CCCCC2

DOS

IR

Vibrations