Geometry & MOs

Info

ID:	400021
PubChem CID:	135044599
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.32
IP(EA), eV:	-9.58(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-ethyl-3-methyl-5-oxo-2H-pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

CC12CCC(C(C1C=O)C3=CC=CC=C3)C(=O)C2

DOS

IR

Vibrations