Geometry & MOs

Info

ID:	22335
PubChem CID:	596756
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-184.44
Dipole, Da:	3.75
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethanone

Drug info:

PubChemData

Smile

CCCC1=C(C(=C(C=C1)OCC(C)O)C(=O)C)O

DOS

IR

Vibrations