Geometry & MOs

Info

ID:	211763
PubChem CID:	81053634
Reduced:	SO2N5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	3.07
IP(EA), eV:	-9.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(2-methylprop-2-enyl)amino]-2,6-dimethylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=O)O)SC2=NC(=CC(=N2)N)N

DOS

IR

Vibrations