Geometry & MOs

Info

ID:	60074
PubChem CID:	26675646
Reduced:	ON4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	310.086604
ΔH_f, kcal/mol:	137.36
Dipole, Da:	3.54
IP(EA), eV:	-9.53(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yloxymethyl)-5-(4-fluorophenyl)-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CON2C3=CC=CC=C3N=N2)C#N

DOS

IR

Vibrations