Geometry & MOs

Info

ID:	8819
PubChem CID:	81894
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-93.08
Dipole, Da:	1.85
IP(EA), eV:	-9.37(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCCC1=CC=CC=C1

DOS

IR

Vibrations