Geometry & MOs

Info

ID:	1029
PubChem CID:	3686
Reduced:	O5C19H30 (1)
Stoich.:	A5B19C30 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	-201.84
Dipole, Da:	2.39
IP(EA), eV:	-9.13(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO

DOS

IR

Vibrations