Geometry & MOs

Info

ID:	194048
PubChem CID:	78472752
Reduced:	O3N7H8C9 (1)
Stoich.:	A3B7C8D9 (1)
Weight, g/mol:	263.052878
ΔH_f, kcal/mol:	128.59
Dipole, Da:	6.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872604
Charge, e:	-1

Chem-info

IUPAC name:

2-[[(4-amino-1,2,5-oxadiazol-3-yl)hydrazinylidene]methyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC2=NN=N[N-]2

DOS

IR

Vibrations