Geometry & MOs

Info

ID:	124167
PubChem CID:	50873693
Reduced:	NCl2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-130.32
Dipole, Da:	6.83
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)N(C1)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations