Geometry & MOs

Info

ID:	199416
PubChem CID:	79243270
Reduced:	F3N3C13H20 (1)
Stoich.:	A3B3C13D20 (1)
Weight, g/mol:	274.215747
ΔH_f, kcal/mol:	-153.27
Dipole, Da:	5.43
IP(EA), eV:	-8.74(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methylpropyl-[[6-(propylamino)pyridin-2-yl]methyl]amino]propanenitrile

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=CC=C1)NCC)CC(F)(F)F

DOS

IR

Vibrations