Geometry & MOs

Info

ID:	332409
PubChem CID:	127250695
Reduced:	SO4N5C17H23 (1)
Stoich.:	AB4C5D17E23 (1)
Weight, g/mol:	380.164854
ΔH_f, kcal/mol:	-83.32
Dipole, Da:	2.66
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations