Geometry & MOs

Info

ID:	23337
PubChem CID:	603135
Reduced:	BrO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	270.02554
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	2.32
IP(EA), eV:	-9.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 4-bromobenzoate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations