Geometry & MOs

Info

ID:

174243

PubChem CID:

75744224

Reduced:

ON2C8H19 (1)

Stoich.:

AB2C8D19 (1)

Weight, g/mol:

131.154824

ΔHf, kcal/mol:

-24.3

Dipole, Da:

3.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754153

Charge, e:

 1

Chem-info

IUPAC name:

2-[ethyl(methyl)amino]butylazanium

Drug info:

PubChemData

Smile

CCC(C[NH3+])N1CCOCC1

DOS

IR

Vibrations