Geometry & MOs

Info

ID:	405768
PubChem CID:	135075376
Reduced:	P2C5H10O10 (1)
Stoich.:	A2B5C10D10 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-382.47
Dipole, Da:	3.71
IP(EA), eV:	-10.57(-3.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-2-ethyl-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](COP(=O)(OOP(=O)(O1)[O-])[O-])O)CO

DOS

IR

Vibrations