Geometry & MOs

Info

ID:	337840
PubChem CID:	127258463
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-156.73
Dipole, Da:	3.7
IP(EA), eV:	-9.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxyphenoxy)propyl butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations