Geometry & MOs

Info

ID:

321119

PubChem CID:

126664944

Reduced:

SN3C10H20 (1)

Stoich.:

AB3C10D20 (1)

Weight, g/mol:

366.17043

ΔHf, kcal/mol:

19.14

Dipole, Da:

0.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.771073

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(9-aminononyl)piperidin-1-ium-1-yl]ethanethiol;bromide

Drug info:

PubChemData

Smile

C1=C[N+](=CN1CCS)CCCCCN

DOS

IR

Vibrations