Geometry & MOs

Info

ID:	389425
PubChem CID:	134992856
Reduced:	BrOC9H19 (1)
Stoich.:	ABC9D19 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	3.61
IP(EA), eV:	-9.94(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-5-methyl-1-phenylhexan-1-one

Drug info:

PubChemData

Smile

CCCCCC(C(C)OC)Br

DOS

IR

Vibrations