Geometry & MOs

Info

ID:	275409
PubChem CID:	103815802
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	2.55
IP(EA), eV:	-8.8(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-hydroxyethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)CC(=O)N3CCNCC3

DOS

IR

Vibrations