Geometry & MOs

Info

ID:	324865
PubChem CID:	126678505
Reduced:	SO2N3F6H27C29 (1)
Stoich.:	AB2C3D6E27F29 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-304.25
Dipole, Da:	3.65
IP(EA), eV:	-8.98(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-phenylmethoxyheptan-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)OC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations