Geometry & MOs

Info

ID:	205227
PubChem CID:	80072233
Reduced:	F3N3O3H10C12 (1)
Stoich.:	A3B3C3D10E12 (1)
Weight, g/mol:	293.16608
ΔH_f, kcal/mol:	-222.37
Dipole, Da:	3.9
IP(EA), eV:	-9.91(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethylamino)-2-(3-methylsulfonylcyclohexyl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C(=O)NN)N1C2=C(C=C(C=C2)C(F)(F)F)C(=O)C1=O

DOS

IR

Vibrations