Geometry & MOs

Info

ID:	41480
PubChem CID:	8145946
Reduced:	ClFON4H10C14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	9.18
Dipole, Da:	4.03
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(5R,6R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations