Geometry & MOs

Info

ID:	157337
PubChem CID:	56422898
Reduced:	N2O2H11C12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-51.63
Dipole, Da:	5.1
IP(EA), eV:	-8.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations