Geometry & MOs

Info

ID:	294765
PubChem CID:	117489143
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	304.105922
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	2.37
IP(EA), eV:	-7.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxy-5-morpholin-4-ylphenyl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1O)Br)C2(CCC2)CN)F

DOS

IR

Vibrations