Geometry & MOs

Info

ID:	406162
PubChem CID:	135076732
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	310.101665
ΔH_f, kcal/mol:	20.47
Dipole, Da:	2.22
IP(EA), eV:	-8.57(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4,5-difluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C#COCC

DOS

IR

Vibrations