Geometry & MOs

Info

ID:	432684
PubChem CID:	135172820
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	704.22446
ΔH_f, kcal/mol:	63.59
Dipole, Da:	2.26
IP(EA), eV:	-8.74(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3,5-bis[2-[2-(hydroxymethyl)prop-2-enoyloxy]ethoxy]phenyl]phenyl] 3-fluoro-4-(5,5,5-trifluoropentyl)benzoate

Drug info:

PubChemData

Smile

CC/C(=C(/CC(=C)C#C)\N=C)/C(C)C

DOS

IR

Vibrations