Geometry & MOs

Info

ID:	410754
PubChem CID:	135083555
Reduced:	OH10C11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	26.84
Dipole, Da:	3.05
IP(EA), eV:	-10.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-hydroxy-2-methyltridecan-3-one

Drug info:

PubChemData

Smile

C[C@H](C#C)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations