Geometry & MOs

Info

ID:	139327
PubChem CID:	52511032
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	375.185472
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	5.44
IP(EA), eV:	-8.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(6-methoxypyridin-3-yl)methyl]-3-[[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC[C@]3(CCSC3)N4CCOCC4

DOS

IR

Vibrations