Geometry & MOs

Info

ID:	255673
PubChem CID:	103133935
Reduced:	NOF3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	285.03567
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	5.67
IP(EA), eV:	-9.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations