Geometry & MOs

Info

ID:	321622
PubChem CID:	126666691
Reduced:	O2F3N5C20H20 (1)
Stoich.:	A2B3C5D20E20 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-108.91
Dipole, Da:	4.29
IP(EA), eV:	-8.96(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(2R,4R)-2-methyloxan-4-yl]-4-(2H-oxadiazol-3-yl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C=NC3=C(N=C4C=CC(=C(C4=C32)N5C=CON5)C(F)(F)F)C

DOS

IR

Vibrations