Geometry & MOs

Info

ID:	2373
PubChem CID:	7132
Reduced:	BrNC21H32 (1)
Stoich.:	ABC21D32 (1)
Weight, g/mol:	377.17181
ΔH_f, kcal/mol:	34.89
Dipole, Da:	31.96
IP(EA), eV:	-5.65(-3.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecylisoquinolin-2-ium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]

DOS

IR

Vibrations