Geometry & MOs

Info

ID:	354292
PubChem CID:	127286256
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	382.167477
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	4.8
IP(EA), eV:	-8.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopentyloxypyridin-3-yl)-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)NCC3(CCCC3)O

DOS

IR

Vibrations