Geometry & MOs

Info

ID:	371394
PubChem CID:	127346242
Reduced:	OF3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	5.37
IP(EA), eV:	-8.68(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-3-yl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3=CN(N=N3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations