Geometry & MOs

Info

ID:	388685
PubChem CID:	134989874
Reduced:	BF2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	236.97893
ΔH_f, kcal/mol:	-297.72
Dipole, Da:	8.16
IP(EA), eV:	-9.89(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-6-methyl-2H-isoquinolin-3-one

Drug info:

PubChemData

Smile

B(O/C(=C\C(=O)C1=CC=C(C=C1)C)/C)(F)F

DOS

IR

Vibrations