Geometry & MOs

Info

ID:	426844
PubChem CID:	135154134
Reduced:	NO6C72H143 (1)
Stoich.:	AB6C72D143 (1)
Weight, g/mol:	227.034921
ΔH_f, kcal/mol:	-600.45
Dipole, Da:	4.88
IP(EA), eV:	-10.06(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-5-methyl-2-(2-oxoethyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC([C@@H]1[C@@]([C@]([C@H]([C@](O1)(CCCCCCCCCCCCCCCC)O)NC(=O)C)(CCCCCCCCCCCCCCCC)O)(CCCCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations