Geometry & MOs

Info

ID:	79482
PubChem CID:	49759540
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-207.63
Dipole, Da:	5.63
IP(EA), eV:	-10.01(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCCC(C1)CC(=O)O

DOS

IR

Vibrations