Geometry & MOs

Info

ID:	255680
PubChem CID:	103133960
Reduced:	ClNOSH8C14 (1)
Stoich.:	ABCDE8F14 (1)
Weight, g/mol:	239.040485
ΔH_f, kcal/mol:	43.79
Dipole, Da:	6.06
IP(EA), eV:	-9.4(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl(thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(=O)C3=C(C=CS3)Cl

DOS

IR

Vibrations