Geometry & MOs

Info

ID:

321142

PubChem CID:

126665028

Reduced:

NSC9H20 (1)

Stoich.:

ABC9D20 (1)

Weight, g/mol:

366.17043

ΔHf, kcal/mol:

8.78

Dipole, Da:

1.83

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.750882

Charge, e:

 0

Chem-info

IUPAC name:

11-[1-(aminomethyl)pyrrolidin-1-ium-1-yl]undecane-1-thiol;bromide

Drug info:

PubChemData

Smile

C[N+]1(CCCCC1)CCCS

DOS

IR

Vibrations