Geometry & MOs

Info

ID:	157289
PubChem CID:	56422508
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-72.15
Dipole, Da:	5.56
IP(EA), eV:	-8.53(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations