Geometry & MOs

Info

ID:	23274
PubChem CID:	602967
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	284.04119
ΔH_f, kcal/mol:	-84.35
Dipole, Da:	3.02
IP(EA), eV:	-9.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 2-bromobenzoate

Drug info:

PubChemData

Smile

CC(C)CCCOC(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations