Geometry & MOs

Info

ID:	157287
PubChem CID:	56422506
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	416.169585
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	11.96
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations