Geometry & MOs

Info

ID:	217931
PubChem CID:	85088605
Reduced:	O2C13H18 (2)
Stoich.:	A2B13C18 (2)
Weight, g/mol:	412.26136
ΔH_f, kcal/mol:	-191.25
Dipole, Da:	4.8
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-hydroxybenzoyl)-5,9,13-trimethyltetradeca-4,8,12-trienoate

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(O1)CC3CCC4C5CCC(C5(CCC4C3(C2)C)C)OC(=O)C

DOS

IR

Vibrations