Geometry & MOs

Info

ID:	207091
PubChem CID:	80345830
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	4.48
IP(EA), eV:	-9.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(6-carbamoylpyridazin-3-yl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)(COC2=NN=C(C=C2)C(=O)N)N

DOS

IR

Vibrations