Geometry & MOs

Info

ID:	347598
PubChem CID:	127272453
Reduced:	SO3N6C16H26 (1)
Stoich.:	AB3C6D16E26 (1)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	-84.58
Dipole, Da:	4.88
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-3-(1-propylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CNC(=O)CN1CCN(CC1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations