Geometry & MOs

Info

ID:	327337
PubChem CID:	126689583
Reduced:	F3O3N4H21C30 (1)
Stoich.:	A3B3C4D21E30 (1)
Weight, g/mol:	307.072369
ΔH_f, kcal/mol:	-113.72
Dipole, Da:	3.1
IP(EA), eV:	-8.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)C#N)C(F)(F)F)O

DOS

IR

Vibrations