Geometry & MOs

Info

ID:	217097
PubChem CID:	85087251
Reduced:	OC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	332.198759
ΔH_f, kcal/mol:	-191.78
Dipole, Da:	7.9
IP(EA), eV:	-10.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[hydroxy-(2-hydroxyphenyl)methyl]octa-4,7-dienyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)OCC34C

DOS

IR

Vibrations