Geometry & MOs

Info

ID:	50353
PubChem CID:	12012875
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	5.13
IP(EA), eV:	-9.63(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[(4R,5R)-4,5-dimethyloxolan-2-ylidene]propan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC/C(=C/C(=O)OC)/O1

DOS

IR

Vibrations