Geometry & MOs

Info

ID:	403628
PubChem CID:	135061075
Reduced:	OF3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	3.27
IP(EA), eV:	-9.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-butoxybut-2-enyl] benzoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(F)(F)F)O/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations