Geometry & MOs

Info

ID:	332468
PubChem CID:	127250754
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	2.98
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,6-dimethylpyrimidin-2-yl)-2-[5-[2-(3-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1C2=NC=CC=N2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations