Geometry & MOs

Info

ID:	255671
PubChem CID:	103133931
Reduced:	ON3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	227.094629
ΔH_f, kcal/mol:	73.1
Dipole, Da:	5.61
IP(EA), eV:	-9.49(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations