Geometry & MOs

Info

ID:	327504
PubChem CID:	126690158
Reduced:	FOS2N6H21C23 (1)
Stoich.:	ABC2D6E21F23 (1)
Weight, g/mol:	171.137162
ΔH_f, kcal/mol:	91.47
Dipole, Da:	3.7
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolidin-3-ylpiperazin-2-ol

Drug info:

PubChemData

Smile

CN(C1=C(N=C2N1N=C(C=C2)C3=CCN(CC3)SC)C=O)C4=NC(=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations