Geometry & MOs

Info

ID:	25394
PubChem CID:	624059
Reduced:	ON5H11C15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	277.050571
ΔH_f, kcal/mol:	86.69
Dipole, Da:	8.8
IP(EA), eV:	-8.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-chlorophenyl)methylidene]-2-methyl-5-oxo-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)C3=C1N=C(C(=C3C#N)C#N)N

DOS

IR

Vibrations