Geometry & MOs

Info

ID:	357424
PubChem CID:	127294057
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	394.181647
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	1.62
IP(EA), eV:	-8.34(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-5-[3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations