Geometry & MOs

Info

ID:	255670
PubChem CID:	103133925
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	235.074562
ΔH_f, kcal/mol:	-34.04
Dipole, Da:	5.87
IP(EA), eV:	-9.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCC(=O)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations