Geometry & MOs

Info

ID:	319363
PubChem CID:	126655768
Reduced:	NOF3C28H28 (1)
Stoich.:	ABC3D28E28 (1)
Weight, g/mol:	273.209264
ΔH_f, kcal/mol:	-145.76
Dipole, Da:	4.77
IP(EA), eV:	-9.07(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-ditert-butyl-2-propyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(O2)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations