Geometry & MOs

Info

ID:	398245
PubChem CID:	135032469
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-51.23
Dipole, Da:	4.18
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4E)-2-methyl-6-propanoyloxyhexa-2,4-dienyl] benzoate

Drug info:

PubChemData

Smile

CCC1(C2=CC=CC=C2C(=O)N(C1=O)CC3=CC=CC=C3)C

DOS

IR

Vibrations