Geometry & MOs

Info

ID:	176349
PubChem CID:	76035938
Reduced:	NO3F4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	330.05791
ΔH_f, kcal/mol:	-335.07
Dipole, Da:	5.39
IP(EA), eV:	-9.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-(bromomethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C(CC(C2)(C)C)O)C3=C1C(OC34CCOCC4)C5=C(C=C(C=C5)C(F)(F)F)F

DOS

IR

Vibrations