Geometry & MOs

Info

ID:	394447
PubChem CID:	135023011
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	3.73
IP(EA), eV:	-9.34(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethoxypyridin-3-yl)methyl]cyclopentane-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[C@]2(C=COC2=O)CC=C)C

DOS

IR

Vibrations