Geometry & MOs

Info

ID:	337983
PubChem CID:	127258606
Reduced:	O3C19H30 (1)
Stoich.:	A3B19C30 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-162.02
Dipole, Da:	2.97
IP(EA), eV:	-8.57(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenoxypentan-2-yl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC(C)C(CC)OC1=CC=C(C=C1)C(C)CC

DOS

IR

Vibrations