Geometry & MOs

Info

ID:	373351
PubChem CID:	131313737
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	308.9662
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	2.83
IP(EA), eV:	-8.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-4-fluoro-6-iodobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CO)[C@H]2CCCN2

DOS

IR

Vibrations