Geometry & MOs

Info

ID:	405053
PubChem CID:	135072367
Reduced:	FO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	294.126737
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	4.47
IP(EA), eV:	-8.55(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-5-(4-fluorophenyl)pent-4-enyl]propanedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/COC/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations