Geometry & MOs

Info

ID:	13165
PubChem CID:	222338
Reduced:	BrO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	264.07249
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	2.8
IP(EA), eV:	-10.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-3-yl 2-bromobutanoate

Drug info:

PubChemData

Smile

CCCCC(CC)OC(=O)C(CC)Br

DOS

IR

Vibrations