Geometry & MOs

Info

ID:	49934
PubChem CID:	11538247
Reduced:	FON3H20C24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	24.31
Dipole, Da:	6.45
IP(EA), eV:	-8.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[3-chloro-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=CC4=C(C=C3)N(C=C4)C5=CN=CC=C5

DOS

IR

Vibrations