Geometry & MOs

Info

ID:	444209
PubChem CID:	135261720
Reduced:	FSO3N7H28C31 (1)
Stoich.:	ABC3D7E28F31 (1)
Weight, g/mol:	281.101171
ΔH_f, kcal/mol:	8.29
Dipole, Da:	2.84
IP(EA), eV:	-8.58(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-hydroxypropoxy)-6-oxopyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C)N=C2

DOS

IR

Vibrations