Geometry & MOs

Info

ID:	76682
PubChem CID:	48425237
Reduced:	N2F3O4C20H29 (1)
Stoich.:	A2B3C4D20E29 (1)
Weight, g/mol:	404.033989
ΔH_f, kcal/mol:	-318.74
Dipole, Da:	3.55
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dichlorothiophen-3-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations