Geometry & MOs

Info

ID:	321145
PubChem CID:	126665033
Reduced:	BrSN2C16H35 (1)
Stoich.:	ABC2D16E35 (1)
Weight, g/mol:	287.252095
ΔH_f, kcal/mol:	-47.87
Dipole, Da:	15.47
IP(EA), eV:	-7.73(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-(10-aminodecyl)pyrrolidin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCCCCCN)CCS.[Br-]

DOS

IR

Vibrations