Geometry & MOs

Info

ID:	60111
PubChem CID:	26675696
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	345.056799
ΔH_f, kcal/mol:	70.06
Dipole, Da:	6.96
IP(EA), eV:	-10.23(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2C#N)C)[N+](=O)[O-]

DOS

IR

Vibrations