Geometry & MOs

Info

ID:	139819
PubChem CID:	52602080
Reduced:	ClN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	256.166117
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	2.24
IP(EA), eV:	-9.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-[4-(hydroxymethyl)piperidin-1-ium-1-yl]acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CN2CCC(CC2)CO

DOS

IR

Vibrations