Geometry & MOs

Info

ID:	76610
PubChem CID:	48425144
Reduced:	F3N3O3C14H20 (1)
Stoich.:	A3B3C3D14E20 (1)
Weight, g/mol:	336.152158
ΔH_f, kcal/mol:	-232.98
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations