Geometry & MOs

Info

ID:	434606
PubChem CID:	135175338
Reduced:	SF2N3O5C34H41 (1)
Stoich.:	AB2C3D5E34F41 (1)
Weight, g/mol:	221.177964
ΔH_f, kcal/mol:	-264.63
Dipole, Da:	5.05
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-tert-butylphenoxy)-N-methylpropan-1-amine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C([C@H](C(=O)N2C3CCC2CC(C3)N)N(C)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6)(F)F

DOS

IR

Vibrations