Geometry & MOs

Info

ID:	345426
PubChem CID:	127269726
Reduced:	ON6C21H34 (1)
Stoich.:	AB6C21D34 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	0.97
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)N2CCN(CC2)C3=NN=CC=C3)N4CCCCC4

DOS

IR

Vibrations