Geometry & MOs

Info

ID:	157297
PubChem CID:	56422766
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	4.6
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations