Geometry & MOs

Info

ID:	321155
PubChem CID:	126665058
Reduced:	SN2C12H27 (1)
Stoich.:	AB2C12D27 (1)
Weight, g/mol:	270.07653
ΔH_f, kcal/mol:	2.26
Dipole, Da:	4.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752331
Charge, e:	0

Chem-info

IUPAC name:

5-aminopentyl-dimethyl-(2-sulfanylethyl)azanium;bromide

Drug info:

PubChemData

Smile

C1CC[N+](C1)(CCCCCCN)CCS

DOS

IR

Vibrations