Geometry & MOs

Info

ID:	203963
PubChem CID:	79893733
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-160.74
Dipole, Da:	3.29
IP(EA), eV:	-9.64(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dioxaspiro[4.5]decan-9-yl)cycloheptan-1-one

Drug info:

PubChemData

Smile

CC(C1CCOC2(C1)CCOCC2)C(=O)C

DOS

IR

Vibrations