Geometry & MOs

Info

ID:	355113
PubChem CID:	127288045
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	295.189592
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	7.76
IP(EA), eV:	-9.64(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[1-(propylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)[C@H]2CCC(=O)N2)C3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations