Geometry & MOs

Info

ID:	230491
PubChem CID:	87571057
Reduced:	NF3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	630.60633
ΔH_f, kcal/mol:	-280.96
Dipole, Da:	4.42
IP(EA), eV:	-9.27(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-[[(E)-octadec-9-enoyl]amino]pentyl]octadec-9-enamide

Drug info:

PubChemData

Smile

C1C2C(C2CNCC3=CC(=CC=C3)C(C(F)(F)F)C(F)(F)F)CN1

DOS

IR

Vibrations