Geometry & MOs

Info

ID:	370003
PubChem CID:	127337121
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	5.57
IP(EA), eV:	-8.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-cyclopentyloxypyridin-3-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3=C(C=C4C(=C3)SC(=N4)C)OC

DOS

IR

Vibrations