Geometry & MOs

Info

ID:	376799
PubChem CID:	134222825
Reduced:	OF4H11C14 (2)
Stoich.:	AB4C11D14 (2)
Weight, g/mol:	574.17542
ΔH_f, kcal/mol:	-405.77
Dipole, Da:	8.71
IP(EA), eV:	-9.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-[3-fluoro-4-[(3,4,5-trifluorophenoxy)methyl]phenoxy]methyl]-4-[4-(ethoxymethyl)cyclohexyl]-2,3-difluorobenzene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

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

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

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

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):