Geometry & MOs

Info

ID:	41462
PubChem CID:	8145924
Reduced:	OSF2N4H12C15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-38.49
Dipole, Da:	4.21
IP(EA), eV:	-9.44(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-8-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)SC(F)F

DOS

IR

Vibrations