Geometry & MOs

Info

ID:	311354
PubChem CID:	126590650
Reduced:	FSO5N7C24H28 (1)
Stoich.:	ABC5D7E24F28 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	-86.96
Dipole, Da:	9.16
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-methylbutan-2-yl)pyridine

Drug info:

PubChemData

Smile

C[C@H](CC(=N/C=C(\C)/F)N=C)S(=O)(=O)NC1=NN=C(N1C2=C(C=CC=C2OC)OC)C3=NC=CC(=C3)OC

DOS

IR

Vibrations