Geometry & MOs

Info

ID:	66127
PubChem CID:	46499890
Reduced:	FNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	327.066221
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	7.08
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC\1=NOC(=O)/C1=C/C2=CC=CC=C2OCC3=CC=CC=C3F

DOS

IR

Vibrations