Geometry & MOs

Info

ID:	368297
PubChem CID:	127327881
Reduced:	OCl2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	2.28
IP(EA), eV:	-9.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3CCC4=C3C=CC(=C4Cl)Cl

DOS

IR

Vibrations