Geometry & MOs

Info

ID:	230366
PubChem CID:	87570727
Reduced:	NO4C9H11 (2)
Stoich.:	AB4C9D11 (2)
Weight, g/mol:	296.10823
ΔH_f, kcal/mol:	-158.6
Dipole, Da:	9.41
IP(EA), eV:	-10.69(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxaspiro[2.5]octan-6-ylmethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H]([C@](CC[C@@]1(C(=O)C)C(=O)O)(C)O)[N+](=O)[O-])C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations