Geometry & MOs

Info

ID:	376374
PubChem CID:	134222386
Reduced:	F5O5C22H27 (1)
Stoich.:	A5B5C22D27 (1)
Weight, g/mol:	452.177471
ΔH_f, kcal/mol:	-472.85
Dipole, Da:	8.73
IP(EA), eV:	-9.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[4-(4-pent-3-ynylcyclohexyl)phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCC12COC(OC1)(OC2)C3CCC(CC3)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F

DOS

IR

Vibrations