Geometry & MOs

Info

ID:	22
PubChem CID:	1967
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	3.2
IP(EA), eV:	-10.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C

DOS

IR

Vibrations