Geometry & MOs

Info

ID:	104
PubChem CID:	2120
Reduced:	NO4H9C14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	255.053158
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	9.39
IP(EA), eV:	-10.12(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CC(=O)O

DOS

IR

Vibrations