Geometry & MOs

Info

ID:	392849
PubChem CID:	135018181
Reduced:	ClF2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	346.174436
ΔH_f, kcal/mol:	-132.07
Dipole, Da:	2.22
IP(EA), eV:	-9.43(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@H]([C@H]2[C@@H](C=CC2(F)F)Cl)OCC3=CC=CC=C3

DOS

IR

Vibrations