Geometry & MOs

Info

ID:	224661
PubChem CID:	85345786
Reduced:	ON2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	324.193674
ΔH_f, kcal/mol:	35.27
Dipole, Da:	13.16
IP(EA), eV:	-9.12(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2',2',5,5-tetramethylspiro[1,3-dioxane-2,5'-3a,4,4a,6,7,8a,9,9a-octahydronaphtho[6,7-d][1,3]dioxole]-8'-one

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C2C(=CC3=CC=CC(=C)C3=N2)C(=O)N=C1

DOS

IR

Vibrations