Geometry & MOs

Info

ID:	327338
PubChem CID:	126689584
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	308.080194
ΔH_f, kcal/mol:	-38.46
Dipole, Da:	4.27
IP(EA), eV:	-10.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[5-[(E)-2-carboxy-3,3-dimethylbut-1-enyl]-2-chloropyridin-4-yl]-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

CC(C)(C)/C(=C\C1=CN=C(C=C1/C(=C\[N+]#N)/[O-])Cl)/C(=O)O

DOS

IR

Vibrations