Geometry & MOs

Info

ID:	321171
PubChem CID:	126665096
Reduced:	BrSN2C18H39 (1)
Stoich.:	ABC2D18E39 (1)
Weight, g/mol:	251.00918
ΔH_f, kcal/mol:	-43.96
Dipole, Da:	19.17
IP(EA), eV:	-6.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(aminomethyl)imidazol-3-ium-1-yl]propane-1-thiol;bromide

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(CCCCCCCCCCCN)CCS.[Br-]

DOS

IR

Vibrations