Geometry & MOs

Info

ID:	79886
PubChem CID:	49831041
Reduced:	IO4N5C10H12 (1)
Stoich.:	AB4C5D10E12 (1)
Weight, g/mol:	388.124366
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	5.44
IP(EA), eV:	-9.43(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]-5-(methoxymethyl)triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(N=C2I)C3C(C(C(O3)CO)O)O)N

DOS

IR

Vibrations