Geometry & MOs

Info

ID:	161321
PubChem CID:	57391335
Reduced:	O3N7C22H25 (1)
Stoich.:	A3B7C22D25 (1)
Weight, g/mol:	268.055617
ΔH_f, kcal/mol:	-0.5
Dipole, Da:	2.02
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylideneamino]-5-oxido-1,2,5-oxadiazol-5-ium-3-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CN2C=C(N=C(C2=N1)N3CCOCC3)C4=C5C=NNC5=CC=C4

DOS

IR

Vibrations