Geometry & MOs

Info

ID:	321139
PubChem CID:	126665020
Reduced:	SN2C13H31 (1)
Stoich.:	AB2C13D31 (1)
Weight, g/mol:	242.04523
ΔH_f, kcal/mol:	-11.25
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752059
Charge, e:	0

Chem-info

IUPAC name:

aminomethyl-dimethyl-(4-sulfanylbutyl)azanium;bromide

Drug info:

PubChemData

Smile

C[N+](C)(CCCCCCCCCCS)CN

DOS

IR

Vibrations