Geometry & MOs

Info

ID:	76530
PubChem CID:	48425047
Reduced:	O2F3N6C18H23 (1)
Stoich.:	A2B3C6D18E23 (1)
Weight, g/mol:	386.181727
ΔH_f, kcal/mol:	-146.83
Dipole, Da:	7.44
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-prop-2-enoxyphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CC2=CC=C(C=C2)N3C=NN=N3

DOS

IR

Vibrations