Geometry & MOs

Info

ID:	225238
PubChem CID:	85752852
Reduced:	OF5H7C13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	168.005873
ΔH_f, kcal/mol:	-229.65
Dipole, Da:	1.44
IP(EA), eV:	-10.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dioxooxepine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)CO)F)C2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations