Geometry & MOs

Info

ID:	23262
PubChem CID:	602950
Reduced:	BrO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	312.07249
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	0.79
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 3-bromobenzoate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations