Geometry & MOs

Info

ID:	307625
PubChem CID:	125307810
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	3.2
IP(EA), eV:	-9.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC[C@@H]1C(O1)(C)C)[C@H]2CCC(=O)C=C2

DOS

IR

Vibrations