Geometry & MOs

Info

ID:	52405
PubChem CID:	12015261
Reduced:	N3O3C17H20 (1)
Stoich.:	A3B3C17D20 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	-27.09
Dipole, Da:	5.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814346
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-5-methyl-5-(1-methyl-2-oxo-3H-indol-3-yl)-3-oxohex-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(CC(=O)/C(=C(\O)/OC)/[N+]#N)C1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations