Geometry & MOs

Info

ID:	19606
PubChem CID:	568899
Reduced:	BrO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	284.04119
ΔH_f, kcal/mol:	-89.63
Dipole, Da:	1.78
IP(EA), eV:	-9.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 5-bromopentanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCOC(=O)CCCCBr

DOS

IR

Vibrations