Geometry & MOs

Info

ID:	66130
PubChem CID:	46499904
Reduced:	NO4H19C20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	433.0325
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	8.2
IP(EA), eV:	-8.88(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/3\C(=NOC3=O)C)OC

DOS

IR

Vibrations