Geometry & MOs

Info

ID:	40490
PubChem CID:	8144227
Reduced:	O3N4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	6.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775366
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[(4-phenylpiperazin-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=C3

DOS

IR

Vibrations