Geometry & MOs

Info

ID:	376740
PubChem CID:	134222766
Reduced:	O2F9H19C23 (1)
Stoich.:	A2B9C19D23 (1)
Weight, g/mol:	448.127327
ΔH_f, kcal/mol:	-501.46
Dipole, Da:	9.83
IP(EA), eV:	-9.95(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations