Geometry & MOs

Info

ID:	191632
PubChem CID:	78170659
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	317.101171
ΔH_f, kcal/mol:	6.75
Dipole, Da:	5.18
IP(EA), eV:	-8.94(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-cyano-6-oxo-3-pyridin-2-ylpiperidine-2,4-dicarboxylate

Drug info:

PubChemData

Smile

COC1=NC2=CC=C3C(=NC4=C(C3=O)CCC4)C2C=C1

DOS

IR

Vibrations