Geometry & MOs

Info

ID:	383184
PubChem CID:	134974758
Reduced:	OH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	236.00749
ΔH_f, kcal/mol:	-6.28
Dipole, Da:	5.24
IP(EA), eV:	-9.35(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2-bromoethyl)isoquinolin-2-ium

Drug info:

PubChemData

Smile

CC(=O)C#CC1=CC=CC=C1O

DOS

IR

Vibrations