Geometry & MOs

Info

ID:	255666
PubChem CID:	103133911
Reduced:	ON3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	285.03567
ΔH_f, kcal/mol:	68.16
Dipole, Da:	4.73
IP(EA), eV:	-9.7(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-3-fluorophenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=CN=CN=C3

DOS

IR

Vibrations