Geometry & MOs

Info

ID:

395603

PubChem CID:

135025963

Reduced:

O9C38H60 (1)

Stoich.:

A9B38C60 (1)

Weight, g/mol:

288.172545

ΔHf, kcal/mol:

-425.81

Dipole, Da:

3.9

IP(EA), eV:

 -8.81(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(1Z,3E)-4-(6,6-dimethylcyclohexen-1-yl)-2-methylbuta-1,3-dienoxy]-4-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)C[C@H]([C@@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)COCC1=CC=CC=C1)O)O)O)[C@@H]([C@@H](C)[C@H]([C@@H](C)COCC2=CC=C(C=C2)OC)O)O

DOS

IR

Vibrations