Geometry & MOs

Info

ID:

2758

PubChem CID:

8463

Reduced:

O5C21H28 (1)

Stoich.:

A5B21C28 (1)

Weight, g/mol:

360.193674

ΔHf, kcal/mol:

-193.84

Dipole, Da:

3.1

IP(EA), eV:

 -9.68(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-3-but-2-enyl-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC=CCC1=C([C@@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C(=O)OC)C

DOS

IR

Vibrations