Geometry & MOs

Info

ID:	426893
PubChem CID:	135154377
Reduced:	O2F3N4H25C31 (1)
Stoich.:	A2B3C4D25E31 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-93.1
Dipole, Da:	5.72
IP(EA), eV:	-9.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxyethyl)-2-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-3-methylpyrido[2,3-d]pyridazin-5-one

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)C2=CC=CC(=C2)CN3C(=O)C(N=C3N)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations