Geometry & MOs

Info

ID:	339606
PubChem CID:	127261596
Reduced:	BrO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	278.05176
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	3.37
IP(EA), eV:	-9.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromooxan-2-yl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2Br

DOS

IR

Vibrations