Geometry & MOs

Info

ID:	20575
PubChem CID:	584663
Reduced:	O4H8C9 (1)
Stoich.:	A4B8C9 (1)
Weight, g/mol:	180.042259
ΔH_f, kcal/mol:	-130.43
Dipole, Da:	8.35
IP(EA), eV:	-10.36(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepta-3,5,7-triene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1C(=CC=CC=C1C(=O)O)C(=O)O

DOS

IR

Vibrations