Geometry & MOs

Info

ID:	21813
PubChem CID:	591481
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-114.88
Dipole, Da:	1.64
IP(EA), eV:	-9.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCC(C)OC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations