Geometry & MOs

Info

ID:

136147

PubChem CID:

51987195

Reduced:

NO3C15H26 (1)

Stoich.:

AB3C15D26 (1)

Weight, g/mol:

254.175619

ΔHf, kcal/mol:

-106.68

Dipole, Da:

7.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.143684

Charge, e:

 1

Chem-info

IUPAC name:

(3-ethoxy-4-methoxyphenyl)methyl-(4-hydroxybutyl)azanium

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C[NH2+]CCCCO)OCC

DOS

IR

Vibrations