Geometry & MOs

Info

ID:	263437
PubChem CID:	103367433
Reduced:	ON2F3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	236.124881
ΔH_f, kcal/mol:	-157.76
Dipole, Da:	2.92
IP(EA), eV:	-9.09(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[[(4-methylpiperazin-1-yl)amino]methyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC)NCC(C#N)C(F)(F)F

DOS

IR

Vibrations