Geometry & MOs

Info

ID:	126595
PubChem CID:	50969274
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	16.15
Dipole, Da:	2.39
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC(C1=NC=CN1C)NC(=O)C2=CC3=NC(=C(N=C3C=C2)C)C

DOS

IR

Vibrations