Geometry & MOs

Info

ID:	224231
PubChem CID:	85340369
Reduced:	ClNO6C20H20 (1)
Stoich.:	ABC6D20E20 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-234.01
Dipole, Da:	2.98
IP(EA), eV:	-9.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-morpholin-4-yl-N-[3-(5-oxo-3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-8-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

C1CC(C2C1C2C(=O)O)(C(=O)OCOC(=O)C3=CC=CC4=CC=CC=C43)N.Cl

DOS

IR

Vibrations