Geometry & MOs

Info

ID:	127594
PubChem CID:	51007802
Reduced:	O2F5H11C14 (1)
Stoich.:	A2B5C11D14 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-267.63
Dipole, Da:	3.78
IP(EA), eV:	-9.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4R)-4-(3-methylbut-2-enyl)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)C3=CC=CO3)C(C(F)(F)F)(F)F

DOS

IR

Vibrations