Geometry & MOs

Info

ID:	66128
PubChem CID:	46499891
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	311.095771
ΔH_f, kcal/mol:	-13.74
Dipole, Da:	8.13
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[4-[(3-fluorophenyl)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=C3Cl

DOS

IR

Vibrations