Geometry & MOs

Info

ID:	224262
PubChem CID:	85340887
Reduced:	BrOH9C13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	71.84
Dipole, Da:	3.19
IP(EA), eV:	-8.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-oxo-1,3-oxazol-3-yl)-4-phenylmethoxybutanal

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#CC=CC#CCBr)O

DOS

IR

Vibrations