Geometry & MOs

Info

ID:	289862
PubChem CID:	104379884
Reduced:	ClN3O3C12H16 (1)
Stoich.:	AB3C3D12E16 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	4.06
IP(EA), eV:	-9.55(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CNC1=NC(=CC(=C1)C(=O)O)Cl

DOS

IR

Vibrations