Geometry & MOs

Info

ID:	255674
PubChem CID:	103133939
Reduced:	ClFNOH9C16 (1)
Stoich.:	ABCDE9F16 (1)
Weight, g/mol:	269.06522
ΔH_f, kcal/mol:	-8.7
Dipole, Da:	6.18
IP(EA), eV:	-9.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-difluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations