Geometry & MOs

Info

ID:	17797
PubChem CID:	520040
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-96.42
Dipole, Da:	1.9
IP(EA), eV:	-9.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCOC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations