Geometry & MOs

Info

ID:	41473
PubChem CID:	8145935
Reduced:	N2O2C11H17 (2)
Stoich.:	A2B2C11D17 (2)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	4.69
IP(EA), eV:	-7.4(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)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+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

DOS

IR

Vibrations