Geometry & MOs

Info

ID:	332508
PubChem CID:	127250794
Reduced:	ClO4N5C20H22 (1)
Stoich.:	AB4C5D20E22 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-32.13
Dipole, Da:	3.82
IP(EA), eV:	-9.4(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NON=C1CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations