Geometry & MOs

Info

ID:	44140
PubChem CID:	10501080
Reduced:	FN2O2Cl3H10C17 (1)
Stoich.:	AB2C2D3E10F17 (1)
Weight, g/mol:	363.134482
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	5.91
IP(EA), eV:	-9.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methoxy-4-[(E)-2-[1-[(2-nitrophenyl)methyl]pyridin-1-ium-4-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O)C[18F])Cl

DOS

IR

Vibrations