Geometry & MOs

Info

ID:	321115
PubChem CID:	126664921
Reduced:	BrSN2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	256.06088
ΔH_f, kcal/mol:	1.77
Dipole, Da:	4.62
IP(EA), eV:	-7.82(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

aminomethyl-dimethyl-(5-sulfanylpentyl)azanium;bromide

Drug info:

PubChemData

Smile

C1=C[N+](=CC=C1CN)CCCCCS.[Br-]

DOS

IR

Vibrations