Geometry & MOs

Info

ID:	76672
PubChem CID:	48425222
Reduced:	N2F3O4C19H27 (1)
Stoich.:	A2B3C4D19E27 (1)
Weight, g/mol:	407.149047
ΔH_f, kcal/mol:	-306.38
Dipole, Da:	5.36
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations