Geometry & MOs

Info

ID:	394332
PubChem CID:	135022778
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	356.161031
ΔH_f, kcal/mol:	-89.36
Dipole, Da:	4.93
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-hydroxy-2-[(E)-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]prop-2-enoxy]ethenediazonium

Drug info:

PubChemData

Smile

C/C(=C\C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)/CO/C(=C/[N+]#N)/[O-]

DOS

IR

Vibrations