Geometry & MOs

Info

ID:	328210
PubChem CID:	126697666
Reduced:	ClF3N3O3C21H23 (1)
Stoich.:	AB3C3D3E21F23 (1)
Weight, g/mol:	186.052823
ΔH_f, kcal/mol:	-254.39
Dipole, Da:	4.62
IP(EA), eV:	-8.85(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxabicyclo[3.2.0]heptane-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)OC(F)(F)F)C(CC(=O)NC3=CC=C(C=C3)Cl)CO

DOS

IR

Vibrations