Geometry & MOs

Info

ID:	316055
PubChem CID:	126629825
Reduced:	FN2O2H31C48 (1)
Stoich.:	AB2C2D31E48 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	105.37
Dipole, Da:	3.21
IP(EA), eV:	-7.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(E)-but-2-enoxy]-2-fluorophenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)F)C6=CC=C(C=C6)C7=C8C(=CC=C7)OC9=CC=CC=C9O8)C1=CC=CC=C12

DOS

IR

Vibrations