Geometry & MOs

Info

ID:	41245
PubChem CID:	8145524
Reduced:	FO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-116.06
Dipole, Da:	1.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755911
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations