Geometry & MOs

Info

ID:	333091
PubChem CID:	127251515
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	4.84
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[4-[(3-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-oxoethyl]-6-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C=C1)CC(=O)N2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=CC=C4F)C

DOS

IR

Vibrations