Geometry & MOs

Info

ID:	295179
PubChem CID:	117520609
Reduced:	BrO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	372.05724
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	5.95
IP(EA), eV:	-9.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-bromo-2-cyclopentyloxy-3-methoxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC(=C2C(=C1C(C)C)OCCCO2)Br)O

DOS

IR

Vibrations