Geometry & MOs

Info

ID:	192771
PubChem CID:	78310192
Reduced:	N2O6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	476.279884
ΔH_f, kcal/mol:	-151.72
Dipole, Da:	9.52
IP(EA), eV:	-8.8(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[(6-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)C5CCCC5)OC

DOS

IR

Vibrations