Geometry & MOs

Info

ID:	294208
PubChem CID:	117435257
Reduced:	NF2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	-244.34
Dipole, Da:	6.63
IP(EA), eV:	-9.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-oxopyrazolidin-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2O1)C(F)F)C(CN)C(=O)O

DOS

IR

Vibrations