Geometry & MOs

Info

ID:	441997
PubChem CID:	135247619
Reduced:	O3C24H40 (1)
Stoich.:	A3B24C40 (1)
Weight, g/mol:	646.291752
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	4.37
IP(EA), eV:	-8.25(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-ethyl-4-[3-fluoro-4-(6,6,6-trifluorohexyl)phenyl]phenyl]-5-[2-(3-hydroxyprop-1-en-2-ylperoxy)ethoxy]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CC(=CC(=C2)OCOCC)/C(=C/C)/CO

DOS

IR

Vibrations