Geometry & MOs

Info

ID:	200643
PubChem CID:	79420721
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-83.81
Dipole, Da:	2.34
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-5-iodo-2-methylbenzoate

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C1=COC2=CC=CC=C21)N

DOS

IR

Vibrations