Geometry & MOs

Info

ID:	233418
PubChem CID:	90271460
Reduced:	ON3F5H14C19 (1)
Stoich.:	AB3C5D14E19 (1)
Weight, g/mol:	579.319603
ΔH_f, kcal/mol:	-208.28
Dipole, Da:	7.31
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[(E)-2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)NC(=O)C2=NN(C(=C2)C3=C(C=CC=C3F)C(F)(F)F)C

DOS

IR

Vibrations