Geometry & MOs

Info

ID:	376805
PubChem CID:	134222831
Reduced:	O2F10H24C29 (1)
Stoich.:	A2B10C24D29 (1)
Weight, g/mol:	512.158627
ΔH_f, kcal/mol:	-543.22
Dipole, Da:	12.47
IP(EA), eV:	-9.79(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-[4-(methoxymethyl)cyclohexyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)C(F)(F)F)F)F)(F)F)F

DOS

IR

Vibrations