Geometry & MOs

Info

ID:	393970
PubChem CID:	135022073
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	315.110673
ΔH_f, kcal/mol:	-186.94
Dipole, Da:	4.33
IP(EA), eV:	-9.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-formyl-5-phenyl-1H-pyrrole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C(=O)CCC=C)CCC=C)C(=O)OCC

DOS

IR

Vibrations