Geometry & MOs

Info

ID:	413752
PubChem CID:	135086702
Reduced:	NF3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	296.00481
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	4.76
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-bromophenyl)-2-methylidene-3-oxobutyl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NC2=CC3=CC=CC=C3C=C2)C(F)(F)F

DOS

IR

Vibrations