Geometry & MOs

Info

ID:	376793
PubChem CID:	134222819
Reduced:	O3F10H22C29 (1)
Stoich.:	A3B10C22D29 (1)
Weight, g/mol:	538.174277
ΔH_f, kcal/mol:	-552.57
Dipole, Da:	12.06
IP(EA), eV:	-9.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-5-[4-[4-(2-ethoxyethyl)cyclohexen-1-yl]phenyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(=CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C=C3)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)(F)F)F

DOS

IR

Vibrations