Geometry & MOs

Info

ID:	309214
PubChem CID:	126540425
Reduced:	BrFN4O4C20H20 (1)
Stoich.:	ABC4D4E20F20 (1)
Weight, g/mol:	523.243084
ΔH_f, kcal/mol:	-148.82
Dipole, Da:	5.29
IP(EA), eV:	-8.39(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-[(2R,3S,4R)-2,3,4,5,6-pentahydroxyhexyl]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)N3CC(OC3=O)CNC(=O)C4=NC(=CC=C4)Br)F

DOS

IR

Vibrations