Geometry & MOs

Info

ID:	447430
PubChem CID:	135282832
Reduced:	FCl2N5O5H22C29 (1)
Stoich.:	AB2C5D5E22F29 (1)
Weight, g/mol:	453.27399
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]oxyoctyl]-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CO[C@@]1(C2=C(C=C(C=C2F)C(=O)C3=CN(N=C3)C4CN(C4)C(=O)O)C(=O)N1CC5=NC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations