Geometry & MOs

Info

ID:	320152
PubChem CID:	126658488
Reduced:	FNOCl2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	319.090598
ΔH_f, kcal/mol:	-107.71
Dipole, Da:	4.35
IP(EA), eV:	-9.39(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3,4-dichlorophenyl)-2-[(dimethylamino)methyl]-2-fluorocyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CCC([C@@](C1)(C2=CC(=C(C=C2)Cl)Cl)O)(CN)F

DOS

IR

Vibrations