Geometry & MOs

Info

ID:	144751
PubChem CID:	53407530
Reduced:	ClN3O3C10H10 (1)
Stoich.:	AB3C3D10E10 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-15.29
Dipole, Da:	5.32
IP(EA), eV:	-9.39(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-5-iodobenzoate

Drug info:

PubChemData

Smile

CNC1=COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-].Cl

DOS

IR

Vibrations