Geometry & MOs

Info

ID:	321128
PubChem CID:	126664976
Reduced:	BrSN2C13H29 (1)
Stoich.:	ABC2D13E29 (1)
Weight, g/mol:	352.15478
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	12.23
IP(EA), eV:	-7.87(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[1-(aminomethyl)pyrrolidin-1-ium-1-yl]decane-1-thiol;bromide

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCCCS)CN.[Br-]

DOS

IR

Vibrations