Geometry & MOs

Info

ID:	414197
PubChem CID:	135087153
Reduced:	BO2F3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	162.071902
ΔH_f, kcal/mol:	-326.54
Dipole, Da:	4.87
IP(EA), eV:	-9.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-3-methylisoquinolin-2-ium

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\C2=CC=C(C=C2)C(F)(F)F)/C3CCCCC3

DOS

IR

Vibrations