Geometry & MOs

Info

ID:	17126
PubChem CID:	484744
Reduced:	ClO3N4H9C12 (1)
Stoich.:	AB3C4D9E12 (1)
Weight, g/mol:	292.036318
ΔH_f, kcal/mol:	14.42
Dipole, Da:	4.18
IP(EA), eV:	-9.91(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-chloro-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)Cl)[O-]

DOS

IR

Vibrations