Geometry & MOs

Info

ID:	25978
PubChem CID:	635164
Reduced:	O2C11H21 (1)
Stoich.:	A2B11C21 (1)
Weight, g/mol:	641.34483
ΔH_f, kcal/mol:	-117.95
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903708
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2,8-dimethylnon-5-en-4-one;yttrium

Drug info:

PubChemData

Smile

CC(C)C[C-]([CH-][C-](C(C)(C)C)O)O

DOS

IR

Vibrations