Geometry & MOs

Info

ID:	141701
PubChem CID:	52918771
Reduced:	O3F4N4H22C28 (1)
Stoich.:	A3B4C4D22E28 (1)
Weight, g/mol:	321.136493
ΔH_f, kcal/mol:	-202.81
Dipole, Da:	3.58
IP(EA), eV:	-9.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(3,3-dimethyl-1,2-dihydroinden-2-yl)oxy]phenyl]-1,2-oxazol-3-one

Drug info:

PubChemData

Smile

C1C(C1(C(=O)O)N)C2=CC=C(C=C2)C3=CC(=NC(=N3)N)OC(C4=CC=C(C=C4)C5=CC(=CC=C5)F)C(F)(F)F

DOS

IR

Vibrations