Geometry & MOs

Info

ID:	76545
PubChem CID:	48425066
Reduced:	ClN2F3O3C18H24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	418.207942
ΔH_f, kcal/mol:	-281.01
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methoxy]-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations