Geometry & MOs

Info

ID:	356669
PubChem CID:	127292150
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	339.263425
ΔH_f, kcal/mol:	-14.57
Dipole, Da:	4.64
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations