Geometry & MOs

Info

ID:	405598
PubChem CID:	135074610
Reduced:	FO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-95.74
Dipole, Da:	4.79
IP(EA), eV:	-9.75(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[1-(4-methoxyphenyl)hex-1-yn-3-yloxy]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C/OC(CF)C#CC1=CC=CC=C1

DOS

IR

Vibrations