Geometry & MOs

Info

ID:	157344
PubChem CID:	56422906
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-145.35
Dipole, Da:	7.98
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations