Geometry & MOs

Info

ID:	310362
PubChem CID:	126579241
Reduced:	F2N2O5H12C13 (1)
Stoich.:	A2B2C5D12E13 (1)
Weight, g/mol:	528.167051
ΔH_f, kcal/mol:	-197.81
Dipole, Da:	5.04
IP(EA), eV:	-9.14(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[1-(2,4-dichlorophenyl)ethylamino]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC=C1)OC(F)F)COC2=NN(C=C2)O

DOS

IR

Vibrations