Geometry & MOs

Info

ID:	40495
PubChem CID:	8144232
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	303.145715
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	2.17
IP(EA), eV:	-8.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations