Geometry & MOs

Info

ID:	163607
PubChem CID:	58097869
Reduced:	FPN6O8C24H28 (1)
Stoich.:	ABC6D8E24F28 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-357.27
Dipole, Da:	5.99
IP(EA), eV:	-8.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)NC2=NC=C(C(=N2)NC3=NC4=C(C=C3)OC(C(=O)N4COP(=O)(O)O)(C)C)F)OC)OC

DOS

IR

Vibrations