Geometry & MOs

Info

ID:	369035
PubChem CID:	127331141
Reduced:	ON7C15H21 (1)
Stoich.:	AB7C15D21 (1)
Weight, g/mol:	362.27941
ΔH_f, kcal/mol:	32.1
Dipole, Da:	3.26
IP(EA), eV:	-9.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-N-[2-(4-methylpyrazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N(C)CC3=NC=CN=C3

DOS

IR

Vibrations