Geometry & MOs

Info

ID:	318787
PubChem CID:	126653240
Reduced:	OCl2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	242.124212
ΔH_f, kcal/mol:	11.62
Dipole, Da:	5.28
IP(EA), eV:	-8.71(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-piperazin-1-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C2=NC(=C(N=N2)C3=C(C(=CC=C3)Cl)Cl)N)O

DOS

IR

Vibrations