Geometry & MOs

Info

ID:	35389
PubChem CID:	7979796
Reduced:	N3O4H11C13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	3.17
IP(EA), eV:	-11.15(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[(1R)-1-cyanoethyl] 6-O-[(1S)-1-cyanoethyl] pyridine-2,6-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)C1=NC(=CC=C1)C(=O)O[C@@H](C)C#N

DOS

IR

Vibrations