Geometry & MOs

Info

ID:	163469
PubChem CID:	57995751
Reduced:	O6C11H18 (1)
Stoich.:	A6B11C18 (1)
Weight, g/mol:	618.273263
ΔH_f, kcal/mol:	-287.03
Dipole, Da:	1.43
IP(EA), eV:	-10.57(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[difluoro-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexen-1-yl]methoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CCOC(=O)C1(C[C@H]([C@H](C1)O)O)C(=O)OCC

DOS

IR

Vibrations