Geometry & MOs

Info

ID:	50800
PubChem CID:	12013389
Reduced:	PO7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	379.094665
ΔH_f, kcal/mol:	-284.23
Dipole, Da:	1.49
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (2E)-2-[hydroxy(methoxy)methylidene]-3,3-dimethoxy-1H-benzo[f][1,2]benzoxaphosphinin-3-ium-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C\1C2=C(C=CC3=CC=CC=C32)O[P+](/C1=C(\[O-])/OC)(OC)OC

DOS

IR

Vibrations