Geometry & MOs

Info

ID:	356806
PubChem CID:	127292346
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	3.12
IP(EA), eV:	-9.14(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NCC3COCCO3

DOS

IR

Vibrations