Geometry & MOs

Info

ID:	309906
PubChem CID:	126566450
Reduced:	BrN2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-159.72
Dipole, Da:	5.78
IP(EA), eV:	-9.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(CN(CCO)C(=O)O)O)Br

DOS

IR

Vibrations