Geometry & MOs

Info

ID:	8002
PubChem CID:	74682
Reduced:	O3C9H14 (1)
Stoich.:	A3B9C14 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-124.69
Dipole, Da:	6.01
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-4,4,5,5-tetramethylcyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC1(C(=C(C(=O)C1(C)C)O)O)C

DOS

IR

Vibrations