Geometry & MOs

Info

ID:	309405
PubChem CID:	126546037
Reduced:	S2O3F4N5C21H21 (1)
Stoich.:	A2B3C4D5E21F21 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-198.42
Dipole, Da:	2.05
IP(EA), eV:	-8.83(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-(oxan-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CSN1CCN(CC1)S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)(F)F)F)C4=CC=CC=C4

DOS

IR

Vibrations