Geometry & MOs

Info

ID:	408394
PubChem CID:	135081160
Reduced:	O3C15H32 (1)
Stoich.:	A3B15C32 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-190.06
Dipole, Da:	4.36
IP(EA), eV:	-10.03(1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-methyl-5-phenylhexan-3-one

Drug info:

PubChemData

Smile

COC(CCCCCCCCCCCCO)OC

DOS

IR

Vibrations