Geometry & MOs

Info

ID:	137810
PubChem CID:	52265382
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	339.218487
ΔH_f, kcal/mol:	-71.22
Dipole, Da:	2.69
IP(EA), eV:	-8.32(0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1S)-1-phenylethyl]-3-[(6-piperidin-1-ylpyridin-1-ium-3-yl)methyl]urea

Drug info:

PubChemData

Smile

COCCNC(=O)NC[C@@H]1CCN(C1)C2=CC=CC=C2

DOS

IR

Vibrations