Geometry & MOs

Info

ID:	350183
PubChem CID:	127277261
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	4.79
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyl-2-hydroxyethyl)-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)C(CNC(=O)NC2=NC(=CS2)CN3CCOCC3)O

DOS

IR

Vibrations