Geometry & MOs

Info

ID:	325227
PubChem CID:	126682146
Reduced:	O3F6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	227.236148
ΔH_f, kcal/mol:	-492.86
Dipole, Da:	5.98
IP(EA), eV:	-10.55(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-2-amine

Drug info:

PubChemData

Smile

CCC1(CC(OC1=O)(CC(C(F)(F)F)(C(F)(F)F)O)C2CCCCC2)C

DOS

IR

Vibrations