Geometry & MOs

Info

ID:	315324
PubChem CID:	126625624
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	3.9
IP(EA), eV:	-8.86(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethylcyclopentyl)ethyl benzoate

Drug info:

PubChemData

Smile

CC1(CC2=CC=C1O2)OC(=O)C3CC4CCC3O4

DOS

IR

Vibrations