Geometry & MOs

Info

ID:	261640
PubChem CID:	103243123
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	304.047105
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	4.49
IP(EA), eV:	-9.87(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNCC(C(=O)N)N)[N+](=O)[O-]

DOS

IR

Vibrations