Geometry & MOs

Info

ID:	52407
PubChem CID:	12015263
Reduced:	N3O4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765465
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-diazonio-1-ethoxy-5-methyl-5-(1-methyl-2,3-dihydroindol-3-yl)-3-oxohex-1-en-1-olate

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