Geometry & MOs

Info

ID:	332475
PubChem CID:	127250761
Reduced:	F2N3O3C22H27 (1)
Stoich.:	A2B3C3D22E27 (1)
Weight, g/mol:	411.170668
ΔH_f, kcal/mol:	-174.82
Dipole, Da:	3.41
IP(EA), eV:	-9.29(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations