Geometry & MOs

Info

ID:	331186
PubChem CID:	127248593
Reduced:	F2O2N5C21H25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	441.181232
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	4.24
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine-4-carbonyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations