Geometry & MOs

Info

ID:	434622
PubChem CID:	135175363
Reduced:	BrOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-26.52
Dipole, Da:	3.68
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(6-cyclopentyloxynaphthalen-2-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC[C@H]1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations