Geometry & MOs

Info

ID:	225045
PubChem CID:	85735837
Reduced:	BrIC15H18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	210.149404
ΔH_f, kcal/mol:	54.7
Dipole, Da:	1.82
IP(EA), eV:	-9.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2,5-dihydroxyphenyl)propyl-trimethylazanium

Drug info:

PubChemData

Smile

C#CC(CCCCBr)(CCI)C1=CC=CC=C1

DOS

IR

Vibrations