Geometry & MOs

Info

ID:	389837
PubChem CID:	134995475
Reduced:	OC10H20 (1)
Stoich.:	AB10C20 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	0.99
IP(EA), eV:	-9.5(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-hydroxy-1-(2-methoxyphenyl)-2-methylpentan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(CC=C)OC

DOS

IR

Vibrations