Geometry & MOs

Info

ID:

21001

PubChem CID:

586699

Reduced:

O3C10H15 (2)

Stoich.:

A3B10C15 (2)

Weight, g/mol:

366.204239

ΔHf, kcal/mol:

-221.8

Dipole, Da:

7.55

IP(EA), eV:

 -9.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1,3-dihydroxy-3-[4-hydroxy-3-methyl-5-(2-methyl-3-oxoprop-1-enyl)-6-oxabicyclo[3.1.0]hexan-1-yl]-2-methylpropyl]-2,2-dimethylcyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1CC2(C(C1O)(O2)C=C(C)C=O)C(C(C)C(C3C(C3(C)C)C=O)O)O

DOS

IR

Vibrations