Geometry & MOs

Info

ID:	40489
PubChem CID:	8144224
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	345.192666
ΔH_f, kcal/mol:	19.48
Dipole, Da:	6.25
IP(EA), eV:	-9.18(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-butyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N[C@H](C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations