Geometry & MOs

Info

ID:	9164
PubChem CID:	86926
Reduced:	NO4H7C11 (1)
Stoich.:	AB4C7D11 (1)
Weight, g/mol:	217.037508
ΔH_f, kcal/mol:	-104.18
Dipole, Da:	6.98
IP(EA), eV:	-9.83(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrol-1-yl)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(=O)O

DOS

IR

Vibrations