Geometry & MOs

Info

ID:	356668
PubChem CID:	127292149
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	8.68
IP(EA), eV:	-8.62(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCCN3C=CN=C3

DOS

IR

Vibrations