Geometry & MOs

Info

ID:	41097
PubChem CID:	8145237
Reduced:	O3N4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-52.09
Dipole, Da:	0.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.776940
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)C4=CC=CC=C4

DOS

IR

Vibrations