Geometry & MOs

Info

ID:	332253
PubChem CID:	127250539
Reduced:	FN2O2C11H11 (2)
Stoich.:	AB2C2D11E11 (2)
Weight, g/mol:	408.159769
ΔH_f, kcal/mol:	-205.98
Dipole, Da:	6.95
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=C(C=CC=C4F)F)C

DOS

IR

Vibrations