Geometry & MOs

Info

ID:	367069
PubChem CID:	127323054
Reduced:	O2F3N7H12C13 (1)
Stoich.:	A2B3C7D12E13 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	6.99
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN1C(=O)C2(CCN(C2)C3=CC(=NC4=NC=NN34)C(F)(F)F)NC1=O

DOS

IR

Vibrations