Geometry & MOs

Info

ID:	230212
PubChem CID:	87570427
Reduced:	NO2H19C21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	392.365431
ΔH_f, kcal/mol:	19.05
Dipole, Da:	8.02
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E)-3,7-dimethylocta-2,6-dienyl]hexadecanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)C#C

DOS

IR

Vibrations