Geometry & MOs

Info

ID:	442003
PubChem CID:	135247738
Reduced:	F4O4C31H36 (1)
Stoich.:	A4B4C31D36 (1)
Weight, g/mol:	600.361488
ΔH_f, kcal/mol:	-328.99
Dipole, Da:	4.62
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]phenyl]-5-[3-(hydroxymethyl)but-3-enoxy]phenoxy]-2-methylidenebutan-1-ol

Drug info:

PubChemData

Smile

COCCOC1=CC(=CC(=C1)OCCC(=C)CO)C2=CCC(C=C2)C3=CC(=C(C=C3)CCCCC(F)(F)F)F

DOS

IR

Vibrations