Geometry & MOs

Info

ID:

165464

PubChem CID:

74552921

Reduced:

ON3C19H36 (1)

Stoich.:

AB3C19D36 (1)

Weight, g/mol:

224.165054

ΔHf, kcal/mol:

-28.58

Dipole, Da:

4.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.841505

Charge, e:

 1

Chem-info

IUPAC name:

[2-(3,4-dimethoxyphenyl)-3-methylbutyl]azanium

Drug info:

PubChemData

Smile

CCCCC(CC)C[NH2+]CC1=CC=CN1CCN2CCOCC2

DOS

IR

Vibrations