Geometry & MOs

Info

ID:	438419
PubChem CID:	135228157
Reduced:	O4N5C24H35 (1)
Stoich.:	A4B5C24D35 (1)
Weight, g/mol:	427.25834
ΔH_f, kcal/mol:	-134.8
Dipole, Da:	5.7
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2NC(=O)C(C)(C)OCN(C)C

DOS

IR

Vibrations