Geometry & MOs

Info

ID:	311827
PubChem CID:	126598035
Reduced:	FCl2N7C24H24 (1)
Stoich.:	AB2C7D24E24 (1)
Weight, g/mol:	191.092184
ΔH_f, kcal/mol:	60.88
Dipole, Da:	3.44
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethynyl-1-(2,2,2-trifluoroethyl)piperidine

Drug info:

PubChemData

Smile

CN1C2=NC(=NC=C2N=C1NC3=C(C=C(C=C3Cl)Cl)F)N[C@@H]4CCCN(C4)CC5=CC=CC=C5

DOS

IR

Vibrations