Geometry & MOs

Info

ID:	408459
PubChem CID:	135081225
Reduced:	OC7H13 (2)
Stoich.:	AB7C13 (2)
Weight, g/mol:	222.08785
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	3.66
IP(EA), eV:	-9.75(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyclohexylidene(fluoro)methyl]sulfanylbenzene

Drug info:

PubChemData

Smile

CC(C)[C@H]1CCC[C@]([C@@H]1C(=O)C(C)C)(C)O

DOS

IR

Vibrations