Geometry & MOs

Info

ID:	424717
PubChem CID:	135123695
Reduced:	IN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	6.18
IP(EA), eV:	-10.46(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(10-hydroxy-5-oxido-6-oxophenazin-5-ium-1-yl)oxyacetate

Drug info:

PubChemData

Smile

C1=NNC(=C1C(=O)O)CI

DOS

IR

Vibrations