Geometry & MOs

Info

ID:	294533
PubChem CID:	117467887
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	288.995342
ΔH_f, kcal/mol:	-57.72
Dipole, Da:	1.73
IP(EA), eV:	-8.77(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1(CC1)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)O)N

DOS

IR

Vibrations