Geometry & MOs

Info

ID:	41138
PubChem CID:	8145341
Reduced:	N4O4C20H29 (1)
Stoich.:	A4B4C20D29 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	12.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772276
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC

DOS

IR

Vibrations