Geometry & MOs

Info

ID:	158488
PubChem CID:	56464003
Reduced:	OCl2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	37.4
Dipole, Da:	1.93
IP(EA), eV:	-8.88(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)Cl)Cl)C3CC3)N(C)C4CC4

DOS

IR

Vibrations