Geometry & MOs

Info

ID:	443821
PubChem CID:	135260092
Reduced:	FO3N5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	348.245316
ΔH_f, kcal/mol:	-16.5
Dipole, Da:	3.64
IP(EA), eV:	-8.71(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E,4E)-tetradeca-2,4-dien-2-yl]naphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=C(C=CC(=C4)C5=NC(=C6C=COC6=N5)CO)F

DOS

IR

Vibrations