Geometry & MOs

Info

ID:	84789
PubChem CID:	49869882
Reduced:	NF3O3C8H8 (1)
Stoich.:	AB3C3D8E8 (1)
Weight, g/mol:	416.376664
ΔH_f, kcal/mol:	-249.61
Dipole, Da:	8.08
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)pentacosa-10,12-diynamide

Drug info:

PubChemData

Smile

C1=CN(C(=C(C1=O)O)CO)CC(F)(F)F

DOS

IR

Vibrations