Geometry & MOs

Info

ID:

321151

PubChem CID:

126665054

Reduced:

SN2C10H23 (1)

Stoich.:

AB2C10D23 (1)

Weight, g/mol:

408.21738

ΔHf, kcal/mol:

10.9

Dipole, Da:

2.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753097

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(12-aminododecyl)piperidin-1-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCS)CN

DOS

IR

Vibrations