Geometry & MOs

Info

ID:	356762
PubChem CID:	127292302
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	7.21
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NC3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations