Geometry & MOs

Info

ID:	134356
PubChem CID:	51685635
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	331.208219
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	5.66
IP(EA), eV:	-9.46(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[(1R,5S)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]thiourea

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C(=O)O)CC2=COC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations