Geometry & MOs

Info

ID:	332505
PubChem CID:	127250791
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	415.165582
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	5.77
IP(EA), eV:	-8.73(0.21)
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]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCC2=CC(=NN2)C3CN(CCO3)C(=O)C4=NNC5=C4CCC5

DOS

IR

Vibrations