Geometry & MOs

Info

ID:	372048
PubChem CID:	131290360
Reduced:	ClFNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	274.94293
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	6.23
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-2-hydroxy-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1CC1(CC#N)C2=CC(=C(C(=C2)F)Cl)O

DOS

IR

Vibrations