Geometry & MOs

Info

ID:	13107
PubChem CID:	221417
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	1.77
IP(EA), eV:	-9.41(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OCCCC1=CC=CC=C1

DOS

IR

Vibrations