Geometry & MOs

Info

ID:	320687
PubChem CID:	126662537
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	343.287515
ΔH_f, kcal/mol:	-53.79
Dipole, Da:	2.39
IP(EA), eV:	-8.58(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E,5E)-12-[ethyl(methyl)amino]-6-methyldodeca-1,3,5-trien-3-yl]cyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C=C1COCC#C)OCO2

DOS

IR

Vibrations