Geometry & MOs

Info

ID:	348099
PubChem CID:	127273161
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	3.28
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)NC2=CN=C(C=C2)OC3CCCC3

DOS

IR

Vibrations