Geometry & MOs

Info

ID:	295176
PubChem CID:	117520364
Reduced:	BrO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	370.04159
ΔH_f, kcal/mol:	-114.32
Dipole, Da:	1.65
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C(CC(=O)O)C2CC2)OCC3CC3

DOS

IR

Vibrations