Geometry & MOs

Info

ID:	271874
PubChem CID:	103695223
Reduced:	BrClFOH9C13 (1)
Stoich.:	ABCDE9F13 (1)
Weight, g/mol:	262.93487
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	1.62
IP(EA), eV:	-9.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-bromo-4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations