Geometry & MOs

Info

ID:	130776
PubChem CID:	51105476
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-41.81
Dipole, Da:	2.28
IP(EA), eV:	-8.71(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanophenyl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=NCCCN2)N3CCOCC3

DOS

IR

Vibrations