Geometry & MOs

Info

ID:	376315
PubChem CID:	134222325
Reduced:	F5O5H19C21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	310.15445
ΔH_f, kcal/mol:	-402.52
Dipole, Da:	7.11
IP(EA), eV:	-9.7(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-(fluoromethoxy)-5-(4-pent-3-ynylcyclohexyl)benzene

Drug info:

PubChemData

Smile

CCCC1COC(OC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC(=C(C(=C3)F)OCF)F)F

DOS

IR

Vibrations