Geometry & MOs

Info

ID:	449584
PubChem CID:	135299844
Reduced:	PSO3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	370.262028
ΔH_f, kcal/mol:	-76.78
Dipole, Da:	2.28
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(5-tert-butyl-4,6-dimethoxypyridin-2-yl)-2-methylpropan-2-yl]-N,N-dimethylaniline

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(O1)S(=O)C3=CC=CC=C3P2(=O)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations