Geometry & MOs

Info

ID:	312948
PubChem CID:	126610325
Reduced:	F3H27C29 (1)
Stoich.:	A3B27C29 (1)
Weight, g/mol:	454.191978
ΔH_f, kcal/mol:	-58.22
Dipole, Da:	2.05
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-but-3-enylphenyl)-difluoromethoxy]-2-fluoro-4-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]benzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC(=C(C=C1)C2=CC=C(C=C2)/C(=C(/C3=CC=C(C=C3)CCC=C)\F)/F)F

DOS

IR

Vibrations