Geometry & MOs

Info

ID:	164944
PubChem CID:	74476572
Reduced:	ON3C14H20 (2)
Stoich.:	AB3C14D20 (2)
Weight, g/mol:	439.154349
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	7.11
IP(EA), eV:	-8.98(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-1-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(oxolan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C(=C1)C)CN(CCCO)C3(CCCCC3)C4=NN=NN4C5CCCCC5

DOS

IR

Vibrations