Geometry & MOs

Info

ID:	76687
PubChem CID:	48425246
Reduced:	O2F3N5C13H20 (1)
Stoich.:	A2B3C5D13E20 (1)
Weight, g/mol:	414.176642
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	2.58
IP(EA), eV:	-9.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CN2C=NC=N2

DOS

IR

Vibrations