Geometry & MOs

Info

ID:

380224

PubChem CID:

134970594

Reduced:

FOC6H9 (2)

Stoich.:

ABC6D9 (2)

Weight, g/mol:

220.109944

ΔHf, kcal/mol:

-180.48

Dipole, Da:

3.02

IP(EA), eV:

-10.85(-0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[(2S,3S)-2-methyloxolan-3-yl]methanone

Drug info:

PubChemData

Smile

CCCCCC1[C@H](C1(F)F)/C=C/C(=O)OC

DOS

IR

Vibrations