Geometry & MOs

Info

ID:	367123
PubChem CID:	127323395
Reduced:	ON3C7H11 (2)
Stoich.:	AB3C7D11 (2)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-58.51
Dipole, Da:	7.61
IP(EA), eV:	-9.8(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)NC2CCC3=NC=NN3C2

DOS

IR

Vibrations