Geometry & MOs

Info

ID:	411551
PubChem CID:	135084383
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-127.71
Dipole, Da:	6.23
IP(EA), eV:	-10.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-6-[(2S)-3,3-dimethyloxiran-2-yl]-4-methylhex-3-enyl]furan

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations