Geometry & MOs

Info

ID:	139095
PubChem CID:	52471346
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-43.67
Dipole, Da:	1.07
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-(4-piperidin-1-ylphenyl)urea

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)CN1CCN(CC1)C(=O)C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations