Geometry & MOs

Info

ID:	223970
PubChem CID:	85336410
Reduced:	NO5C22H43 (1)
Stoich.:	AB5C22D43 (1)
Weight, g/mol:	401.19217
ΔH_f, kcal/mol:	-312.13
Dipole, Da:	3.49
IP(EA), eV:	-9.74(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylidene]-6-[(dimethylamino)methyl]-1-[(2-fluoro-6-methylphenyl)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(C(CO)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations