Geometry & MOs

Info

ID:	383115
PubChem CID:	134974664
Reduced:	OC5H9 (4)
Stoich.:	AB5C9 (4)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-213.91
Dipole, Da:	4.89
IP(EA), eV:	-9.3(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-[(2S,4S,5R,6S)-7-hydroxy-5-methoxy-4,6-dimethylheptan-2-yl]-5-methyloxan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1/C(=C/[C@H](C)[C@H]([C@@H](C)CO)OC)/C

DOS

IR

Vibrations