Geometry & MOs

Info

ID:	255677
PubChem CID:	103133947
Reduced:	BrFNOH9C16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	275.131014
ΔH_f, kcal/mol:	2.74
Dipole, Da:	4.9
IP(EA), eV:	-9.62(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CC(=CC(=C3)Br)F

DOS

IR

Vibrations