Geometry & MOs

Info

ID:	446218
PubChem CID:	135273219
Reduced:	ClO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	518.16806
ΔH_f, kcal/mol:	3.31
Dipole, Da:	2.85
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[5-chloro-1-(2,6-dioxopiperidin-3-yl)-6-oxopyridazin-4-yl]oxypyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C=C2)OC3=C(C(=O)NN=C3)Cl

DOS

IR

Vibrations