Geometry & MOs

Info

ID:	349001
PubChem CID:	127274727
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	2.42
IP(EA), eV:	-8.79(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyclopentylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)CNC(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations