Geometry & MOs

Info

ID:	379983
PubChem CID:	134964427
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	4.32
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-5-(2-methylprop-1-enyl)-1,2-oxazolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC(C[N+](=O)[O-])/C=C/C1=CC=CC=C1

DOS

IR

Vibrations