Geometry & MOs

Info

ID:	321144
PubChem CID:	126665030
Reduced:	SN2C16H35 (1)
Stoich.:	AB2C16D35 (1)
Weight, g/mol:	366.17043
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	2.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751406
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCCCCCCS)CN

DOS

IR

Vibrations