Geometry & MOs

Info

ID:

321131

PubChem CID:

126664984

Reduced:

SN2C15H27 (1)

Stoich.:

AB2C15D27 (1)

Weight, g/mol:

256.06088

ΔHf, kcal/mol:

-7.16

Dipole, Da:

3.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.942726

Charge, e:

 0

Chem-info

IUPAC name:

4-aminobutyl-dimethyl-(2-sulfanylethyl)azanium;bromide

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CN)CCCCCCCCCS

DOS

IR

Vibrations