Geometry & MOs

Info

ID:

321135

PubChem CID:

126664990

Reduced:

SN2C12H21 (1)

Stoich.:

AB2C12D21 (1)

Weight, g/mol:

365.17518

ΔHf, kcal/mol:

8.13

Dipole, Da:

3.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.941694

Charge, e:

 0

Chem-info

IUPAC name:

12-(1-methylpyrrolidin-1-ium-1-yl)dodecane-3-thiol;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations