Geometry & MOs

Info

ID:	41147
PubChem CID:	8145358
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	373.18758
ΔH_f, kcal/mol:	30.8
Dipole, Da:	4.24
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(=O)N/N=C\C(=C/C3=CC=CO3)\C

DOS

IR

Vibrations