Geometry & MOs

Info

ID:	255676
PubChem CID:	103133944
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	328.98515
ΔH_f, kcal/mol:	40.3
Dipole, Da:	6.54
IP(EA), eV:	-9.4(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-fluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations