Geometry & MOs

Info

ID:	393971
PubChem CID:	135022074
Reduced:	NO5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	315.110673
ΔH_f, kcal/mol:	-161.1
Dipole, Da:	8.19
IP(EA), eV:	-9.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-benzoyl-1H-pyrrole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C=O)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations