Geometry & MOs

Info

ID:	35606
PubChem CID:	7980092
Reduced:	BrN2O2H13C19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	23.65
Dipole, Da:	4.72
IP(EA), eV:	-9.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C#N)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)Br

DOS

IR

Vibrations