Geometry & MOs

Info

ID:	280997
PubChem CID:	103852352
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	3.93
IP(EA), eV:	-8.78(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-(pyridazine-4-carbonyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=NN1)NC(=O)[C@H]2CCCO2

DOS

IR

Vibrations