Geometry & MOs

Info

ID:	246937
PubChem CID:	103065700
Reduced:	ClON2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	249.055656
ΔH_f, kcal/mol:	1.22
Dipole, Da:	1.96
IP(EA), eV:	-9.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C=C(CN1C=NC2=CC=CC=C2C1=O)CCl

DOS

IR

Vibrations