Geometry & MOs

Info

ID:	433212
PubChem CID:	135173349
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	317.30825
ΔH_f, kcal/mol:	-4.72
Dipole, Da:	6.89
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,4,5-trimethylhexan-2-yl)-6-(2,4,4-trimethylpentan-2-yl)pyridine

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)SNC3=CC=CC(=C3)N

DOS

IR

Vibrations