Geometry & MOs

Info

ID:	19343
PubChem CID:	562004
Reduced:	O2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-110.39
Dipole, Da:	1.84
IP(EA), eV:	-9.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octyl 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)CCC1=CC=CC=C1

DOS

IR

Vibrations