Geometry & MOs

Info

ID:	339607
PubChem CID:	127261597
Reduced:	BrO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	271.061136
ΔH_f, kcal/mol:	-168.1
Dipole, Da:	4.82
IP(EA), eV:	-10.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-nitrophenyl) hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1CCCC(O1)Br

DOS

IR

Vibrations