Geometry & MOs

Info

ID:	333090
PubChem CID:	127251514
Reduced:	FO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	3.29
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=NN(C(=O)C=C3)C)CC4=CC(=CC=C4)F

DOS

IR

Vibrations