Geometry & MOs

Info

ID:	54841
PubChem CID:	17389387
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	297.0934
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	6.07
IP(EA), eV:	-9.26(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-[[(E)-(4-amino-1,2,5-oxadiazol-3-ylidene)-nitrosomethyl]amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4N/C=C\5/C=C(C=CC5=O)[N+](=O)[O-]

DOS

IR

Vibrations