Geometry & MOs

Info

ID:	348059
PubChem CID:	127273121
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-15.48
Dipole, Da:	6.63
IP(EA), eV:	-8.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyanopyridin-2-yl)-N-(6-cyclopentyloxypyridin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations