Geometry & MOs

Info

ID:	157298
PubChem CID:	56422768
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	6.58
IP(EA), eV:	-8.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC2=CC=CC=C21)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations