Geometry & MOs

Info

ID:	411523
PubChem CID:	135084355
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	251.91882
ΔH_f, kcal/mol:	-49.73
Dipole, Da:	2.66
IP(EA), eV:	-9.75(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;3-bromo-2-methylbenzoate

Drug info:

PubChemData

Smile

CCCCC(C)(C)C(=O)NCC1=CC=CC=N1

DOS

IR

Vibrations