Geometry & MOs

Info

ID:	337839
PubChem CID:	127258462
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-137.38
Dipole, Da:	2.61
IP(EA), eV:	-8.85(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-formylphenoxy)propyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(C)OC1=CC=C(C=C1)Cl

DOS

IR

Vibrations