Geometry & MOs

Info

ID:	402877
PubChem CID:	135057629
Reduced:	BBrNO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	298.110613
ΔH_f, kcal/mol:	-180.61
Dipole, Da:	0.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.014964
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-(2-pyridin-2-ylphenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

[B-]12(C3=CC(=C(C=C3N=C(O1)C)Br)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations