Geometry & MOs

Info

ID:	356824
PubChem CID:	127292364
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	348.26376
ΔH_f, kcal/mol:	8.97
Dipole, Da:	2.95
IP(EA), eV:	-9.46(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCCCC1C2=NC=CN2)CN3C=CC=N3

DOS

IR

Vibrations