Geometry & MOs

Info

ID:	407655
PubChem CID:	135080405
Reduced:	BP2O5C7H18 (1)
Stoich.:	AB2C5D7E18 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-268.33
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766488
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[(1R,2R)-2-ethenylcyclopent-3-en-1-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

[B][P+](CP(=O)(OC)OC)(OCC)OCC

DOS

IR

Vibrations