Geometry & MOs

Info

ID:	76453
PubChem CID:	48424946
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	404.192292
ΔH_f, kcal/mol:	-305.29
Dipole, Da:	3.97
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCOC1=CC=CC=C1C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations