Geometry & MOs

Info

ID:	221200
PubChem CID:	85257234
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	123.03
Dipole, Da:	10.16
IP(EA), eV:	-8.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-6,9-bis(hydroxymethyl)-1,3-dioxaspiro[4.5]dec-7-en-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations