Geometry & MOs

Info

ID:	169492
PubChem CID:	75110814
Reduced:	NO8C29H39 (1)
Stoich.:	AB8C29D39 (1)
Weight, g/mol:	326.209324
ΔH_f, kcal/mol:	-313.84
Dipole, Da:	8.32
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-12-(6-methyloxan-2-yl)dodeca-6,9-dienoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCOC1=C(C=C2C(=C1O)CN(C2=O)C(CCC(=O)O)C(=O)O)OC)C)C)C

DOS

IR

Vibrations