Geometry & MOs

Info

ID:	207774
PubChem CID:	80447625
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	250.156895
ΔH_f, kcal/mol:	-96.65
Dipole, Da:	2.91
IP(EA), eV:	-8.71(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-propoxyphenoxy)pentan-2-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)COC1=CC(=CC(=C1C)C)C

DOS

IR

Vibrations