Geometry & MOs

Info

ID:	192118
PubChem CID:	78231549
Reduced:	ON3C13H16 (2)
Stoich.:	AB3C13D16 (2)
Weight, g/mol:	454.238019
ΔH_f, kcal/mol:	59.41
Dipole, Da:	6.28
IP(EA), eV:	-9.37(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-ethoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CCCC(C1=NN=NN1CC2=CC=CO2)N(CC3C=C4C=CC(=CC4=NC3=O)C)C5CCCC5

DOS

IR

Vibrations