Geometry & MOs

Info

ID:	76623
PubChem CID:	48425161
Reduced:	ClN2O2F3C19H24 (1)
Stoich.:	AB2C2D3E19F24 (1)
Weight, g/mol:	401.192626
ΔH_f, kcal/mol:	-220.59
Dipole, Da:	2.8
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CCCOCC(F)(F)F

DOS

IR

Vibrations