Geometry & MOs

Info

ID:	76594
PubChem CID:	48425127
Reduced:	N2O3F4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	349.172559
ΔH_f, kcal/mol:	-319.03
Dipole, Da:	5.04
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,4-triazol-1-yl)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCCOC2=CC=C(C=C2)F

DOS

IR

Vibrations