Geometry & MOs

Info

ID:

321178

PubChem CID:

126665106

Reduced:

SN2C13H29 (1)

Stoich.:

AB2C13D29 (1)

Weight, g/mol:

242.04523

ΔHf, kcal/mol:

-13.94

Dipole, Da:

2.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757476

Charge, e:

 0

Chem-info

IUPAC name:

3-aminopropyl-dimethyl-(2-sulfanylethyl)azanium;bromide

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCCN)CCS

DOS

IR

Vibrations