Geometry & MOs

Info

ID:	13119
PubChem CID:	221706
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	2.14
IP(EA), eV:	-8.87(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxypropan-2-yl hexanoate

Drug info:

PubChemData

Smile

CCCCCC(=O)OC(C)COC1=CC=CC=C1

DOS

IR

Vibrations