Geometry & MOs

Info

ID:	307624
PubChem CID:	125307807
Reduced:	O2C11H18 (2)
Stoich.:	A2B11C18 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-229.52
Dipole, Da:	2.8
IP(EA), eV:	-10.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(2R)-4-[(2R)-3,3-dimethyloxiran-2-yl]butan-2-yl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C/C(=C\C(=O)OC)/CC[C@H]1[C@@]2(CCCC([C@H]2CC[C@@]1(C)OC=O)(C)C)C

DOS

IR

Vibrations