Geometry & MOs

Info

ID:	260995
PubChem CID:	103213435
Reduced:	NF3O4C13H18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	398.89707
ΔH_f, kcal/mol:	-317.25
Dipole, Da:	3.37
IP(EA), eV:	-10.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-iodophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)COCC(F)(F)F)CC(C)C

DOS

IR

Vibrations