Geometry & MOs

Info

ID:	217221
PubChem CID:	85087459
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-144.01
Dipole, Da:	3.62
IP(EA), eV:	-9.33(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-hydroxybenzoyl)-5,9-dimethyldeca-4,8-dienoate

Drug info:

PubChemData

Smile

C1CC2(CC(C1C=O)CCC=CCOCC3=CC=CC=C3)OCCO2

DOS

IR

Vibrations