Geometry & MOs

Info

ID:	332057
PubChem CID:	127250343
Reduced:	ON5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	352.169939
ΔH_f, kcal/mol:	85.45
Dipole, Da:	3.25
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-fluorophenyl)pyridin-2-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC3=CC=CC=C23)C4=NC=C(C=C4)C5=CC=NN5

DOS

IR

Vibrations