Geometry & MOs

Info

ID:	52406
PubChem CID:	12015262
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	344.161031
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	1.58
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-1-ethoxy-1-hydroxy-5-methyl-5-(1-methyl-2-oxo-3H-indol-3-yl)-3-oxohex-1-ene-2-diazonium

Drug info:

PubChemData

Smile

CCO/C(=C(/C(=O)CC(C)(C)C1C2=CC=CC=C2N(C1=O)C)\[N+]#N)/[O-]

DOS

IR

Vibrations