Geometry & MOs

Info

ID:	215926
PubChem CID:	85085451
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	5.89
IP(EA), eV:	-10.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)spiro[4.6]undecan-10-one

Drug info:

PubChemData

Smile

CCCC1C(C(=C)C(=O)O1)OCC=C

DOS

IR

Vibrations