Geometry & MOs

Info

ID:	263440
PubChem CID:	103367860
Reduced:	N2F3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	278.171831
ΔH_f, kcal/mol:	-155.72
Dipole, Da:	4.94
IP(EA), eV:	-9.18(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

CC1CCCN(C1C)CC(C#N)C(F)(F)F

DOS

IR

Vibrations