Geometry & MOs

Info

ID:	66131
PubChem CID:	46499908
Reduced:	BrFNO4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	415.04192
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	7.74
IP(EA), eV:	-9.07(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/2\C(=NOC2=O)C)Br)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations