Geometry & MOs

Info

ID:	327906
PubChem CID:	126691287
Reduced:	F3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	419.155767
ΔH_f, kcal/mol:	-389.88
Dipole, Da:	7.29
IP(EA), eV:	-10.79(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro(pyridin-2-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](CCCC(F)(F)F)C(=O)O

DOS

IR

Vibrations