Geometry & MOs

Info

ID:	387958
PubChem CID:	134987524
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-138.47
Dipole, Da:	2.84
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dispiro[4.0.46.15]undecan-11-one

Drug info:

PubChemData

Smile

CCCCC1(CCC(=O)C(=C1OC)C)OC

DOS

IR

Vibrations