Geometry & MOs

Info

ID:	66132
PubChem CID:	46499913
Reduced:	BrNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	6.6
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations