Geometry & MOs

Info

ID:	122371
PubChem CID:	50804003
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	5.2
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-oxo-3-(2-phenylethylamino)propyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=C(C=C(C=C2)Cl)C)C

DOS

IR

Vibrations