Geometry & MOs

Info

ID:	76674
PubChem CID:	48425224
Reduced:	N2F3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	342.176642
ΔH_f, kcal/mol:	-306.9
Dipole, Da:	5.08
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2CC3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations