Geometry & MOs

Info

ID:	41148
PubChem CID:	8145359
Reduced:	N4O4C19H25 (1)
Stoich.:	A4B4C19D25 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	10.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765803
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)CC=C

DOS

IR

Vibrations