Geometry & MOs

Info

ID:	178394
PubChem CID:	76321985
Reduced:	FON6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	415.07567
ΔH_f, kcal/mol:	33.75
Dipole, Da:	2.84
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(benzylamino)-3,4-dioxocyclobuten-1-yl]amino]ethyl-trimethylazanium;iodide

Drug info:

PubChemData

Smile

CCOC1=CN(N=C1)C2=NN=C(C=C2)N3CCC(CC3)N4CCC5=C4C=C(C=C5)F

DOS

IR

Vibrations