Geometry & MOs

Info

ID:	376372
PubChem CID:	134222384
Reduced:	O2F7C29H33 (1)
Stoich.:	A2B7C29D33 (1)
Weight, g/mol:	356.251544
ΔH_f, kcal/mol:	-429.94
Dipole, Da:	7.63
IP(EA), eV:	-9.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(fluoromethoxy)-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F

DOS

IR

Vibrations