Geometry & MOs

Info

ID:	386822
PubChem CID:	134983052
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-186.28
Dipole, Da:	3.26
IP(EA), eV:	-9.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R,4R,5R)-4-ethyl-2-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)[C@@H]([C@H]2C=C[C@@]1(O2)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations