Geometry & MOs

Info

ID:	174734
PubChem CID:	75807090
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	316.238888
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	2.84
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-1-yl)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]urea

Drug info:

PubChemData

Smile

CCN(CC)C(CNC(=O)NC1=CC=CC=N1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations