Geometry & MOs

Info

ID:	337200
PubChem CID:	127256765
Reduced:	NO3C15H31 (1)
Stoich.:	AB3C15D31 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-186.49
Dipole, Da:	2.66
IP(EA), eV:	-9.08(1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-6-methyl-2-pentan-2-ylpyridine-3,4-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CCCCN1CC[C@H]([C@@H](C1)O)O)CO

DOS

IR

Vibrations