Geometry & MOs

Info

ID:	281883
PubChem CID:	103914494
Reduced:	N2F3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	251.210996
ΔH_f, kcal/mol:	-179.28
Dipole, Da:	5.74
IP(EA), eV:	-8.94(1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpropyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCC1)CNC2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations