Geometry & MOs

Info

ID:	356801
PubChem CID:	127292341
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	2.1
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethylpiperazin-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)NC2CCN(CC2)CC=C

DOS

IR

Vibrations