Geometry & MOs

Info

ID:	321143
PubChem CID:	126665029
Reduced:	BrSN2C16H35 (1)
Stoich.:	ABC2D16E35 (1)
Weight, g/mol:	287.252095
ΔH_f, kcal/mol:	-61.64
Dipole, Da:	11.58
IP(EA), eV:	-7.81(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11-[1-(aminomethyl)pyrrolidin-1-ium-1-yl]undecane-1-thiol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations