Geometry & MOs

Info

ID:	357329
PubChem CID:	127293962
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.34
IP(EA), eV:	-8.76(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-4-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1CCCC(C1)NC2=CC(=NC=N2)N3CCCC(C3)CO

DOS

IR

Vibrations