Geometry & MOs

Info

ID:	332597
PubChem CID:	127250883
Reduced:	F2O4N5C21H25 (1)
Stoich.:	A2B4C5D21E25 (1)
Weight, g/mol:	429.181232
ΔH_f, kcal/mol:	-185.72
Dipole, Da:	2.35
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations