Geometry & MOs

Info

ID:	349718
PubChem CID:	127275870
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-5.69
Dipole, Da:	4.26
IP(EA), eV:	-8.52(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]phthalazin-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3CCCN3C4=NC=CS4

DOS

IR

Vibrations