Geometry & MOs

Info

ID:	372467
PubChem CID:	131298118
Reduced:	N2O5C8H8 (1)
Stoich.:	A2B5C8D8 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-106.61
Dipole, Da:	3.05
IP(EA), eV:	-8.98(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-8-oxaspiro[4.5]decan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1O)[N+](=O)[O-])N

DOS

IR

Vibrations