Geometry & MOs

Info

ID:	298533
PubChem CID:	117650629
Reduced:	PO8C18H37 (1)
Stoich.:	AB8C18D37 (1)
Weight, g/mol:	351.111815
ΔH_f, kcal/mol:	-466.28
Dipole, Da:	2.69
IP(EA), eV:	-9.92(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 1-[4-(fluoromethyl)phenyl]-3,4-dihydroxypyrrole-2,5-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOP(=O)(OCCCC)OCCOCCOCC(C)(C)C(=O)OC

DOS

IR

Vibrations