Geometry & MOs

Info

ID:	321600
PubChem CID:	126666665
Reduced:	FNC6H12 (1)
Stoich.:	ABC6D12 (1)
Weight, g/mol:	440.08479
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	1.22
IP(EA), eV:	-9.48(2.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(C[C@@H]1F)N

DOS

IR

Vibrations