Geometry & MOs

Info

ID:	17124
PubChem CID:	484717
Reduced:	N5O5H9C12 (1)
Stoich.:	A5B5C9D12 (1)
Weight, g/mol:	303.060368
ΔH_f, kcal/mol:	21.04
Dipole, Da:	1.9
IP(EA), eV:	-10.29(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-nitro-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=[N+](C3=C(N2N=C1)C=CC(=C3)[N+](=O)[O-])[O-]

DOS

IR

Vibrations