Geometry & MOs

Info

ID:	216439
PubChem CID:	85086242
Reduced:	NO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	9.11
IP(EA), eV:	-8.8(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-cyano-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C3C=CC=CC3=O)OC(=O)C2C=C1

DOS

IR

Vibrations