Geometry & MOs

Info

ID:	264342
PubChem CID:	103455885
Reduced:	O3C13H14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	260.037085
ΔH_f, kcal/mol:	-81.88
Dipole, Da:	5.96
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

C1CC1C(C(=O)C2=CC=CC3=C2OCC3)O

DOS

IR

Vibrations