Geometry & MOs

Info

ID:	359864
PubChem CID:	127299908
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	7.56
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)CCC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations