Geometry & MOs

Info

ID:	368799
PubChem CID:	127330170
Reduced:	SO4N5C13H19 (1)
Stoich.:	AB4C5D13E19 (1)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	-119.33
Dipole, Da:	5.91
IP(EA), eV:	-8.68(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-diethyl-4-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations