Geometry & MOs

Info

ID:	41312
PubChem CID:	8145646
Reduced:	FO3N4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	10.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771632
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations