Geometry & MOs

Info

ID:	191943
PubChem CID:	78207176
Reduced:	ClO2N5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	201.042593
ΔH_f, kcal/mol:	-66.91
Dipole, Da:	7.13
IP(EA), eV:	-9.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetylisoquinoline-1,4-dione

Drug info:

PubChemData

Smile

CC(=CCN1C2C(N=C1N3CCCCC3)N(C(=O)NC2=O)C)Cl

DOS

IR

Vibrations