Geometry & MOs

Info

ID:	212299
PubChem CID:	81060065
Reduced:	O2F3N3C12H12 (1)
Stoich.:	A2B3C3D12E12 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	5.31
IP(EA), eV:	-10.44(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-cyano-2,6-dimethylpyridin-4-yl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CC(=O)O)CC(F)(F)F

DOS

IR

Vibrations