Geometry & MOs

Info

ID:	149183
PubChem CID:	53788855
Reduced:	NF2O2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	426.324629
ΔH_f, kcal/mol:	-90.56
Dipole, Da:	2.68
IP(EA), eV:	-9.56(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[6-(dibenzylamino)hexyl]heptane-1,7-diol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OC2=CC(=CC(=C2)C(C#N)O)F

DOS

IR

Vibrations