Geometry & MOs

Info

ID:	332445
PubChem CID:	127250731
Reduced:	ClN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	397.155018
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	4.32
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations