Geometry & MOs

Info

ID:	71195
PubChem CID:	48414431
Reduced:	FOSN5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	80.86
Dipole, Da:	5.28
IP(EA), eV:	-8.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations