Geometry & MOs

Info

ID:	383156
PubChem CID:	134974720
Reduced:	NOH10C12 (2)
Stoich.:	ABC10D12 (2)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	43.09
Dipole, Da:	2.93
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[2-[(1E)-cycloocten-1-yl]ethynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN2C(N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C6=CC=CC=C61

DOS

IR

Vibrations