Geometry & MOs

Info

ID:	320151
PubChem CID:	126658487
Reduced:	FNOCl2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	291.059298
ΔH_f, kcal/mol:	-90.53
Dipole, Da:	3.79
IP(EA), eV:	-9.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(aminomethyl)-1-(3,4-dichlorophenyl)-2-fluorocyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@](CCCCCC#N)(O)F)Cl)Cl

DOS

IR

Vibrations