Geometry & MOs

Info

ID:	8612
PubChem CID:	79552
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	2.33
IP(EA), eV:	-9.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl heptanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCCC1=CC=CC=C1

DOS

IR

Vibrations