Geometry & MOs

Info

ID:	319360
PubChem CID:	126655764
Reduced:	NO2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	325.184193
ΔH_f, kcal/mol:	-60.76
Dipole, Da:	1.44
IP(EA), eV:	-8.59(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-ditert-butyl-2-(4-fluorophenyl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C2=NC3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations