Geometry & MOs

Info

ID:	54471
PubChem CID:	17388734
Reduced:	SO2N3C8H12 (2)
Stoich.:	AB2C3D8E12 (2)
Weight, g/mol:	449.176746
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	8.46
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-4,6-bis[(dimethylamino)methyl]pyridin-3-ol;trihydrochloride

Drug info:

PubChemData

Smile

COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N=NN2CCCCC2.C1CSC(=N1)N

DOS

IR

Vibrations