Geometry & MOs

Info

ID:	233005
PubChem CID:	87577935
Reduced:	PO4Cl6C9H9 (1)
Stoich.:	AB4C6D9E9 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-240.4
Dipole, Da:	2.48
IP(EA), eV:	-10.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyacetyl) 2-(1-propylcyclopropyl)butanoate

Drug info:

PubChemData

Smile

C(C=C(Cl)Cl)OP(=O)(OCC=C(Cl)Cl)OCC=C(Cl)Cl

DOS

IR

Vibrations