Geometry & MOs

Info

ID:	255682
PubChem CID:	103133965
Reduced:	BrClNOH9C16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	41.05
Dipole, Da:	4.79
IP(EA), eV:	-9.48(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3,4,4-trimethylpentan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=C(C=C(C=C3)Br)Cl

DOS

IR

Vibrations