Geometry & MOs

Info

ID:	321535
PubChem CID:	126666541
Reduced:	F3N6H9C14 (1)
Stoich.:	A3B6C9D14 (1)
Weight, g/mol:	440.08479
ΔH_f, kcal/mol:	-24.56
Dipole, Da:	4.37
IP(EA), eV:	-9.44(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-bromo-1-[(2S,4S)-2-ethyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C(=N2)CN4C=C(N=N4)C(F)(F)F)NC=N3

DOS

IR

Vibrations