Geometry & MOs

Info

ID:	327882
PubChem CID:	126691219
Reduced:	F3N5H22C23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	353.108816
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	4.89
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-difluoroethyl)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C/C=C(/C)\N1C(=CC(=N1)CCC2=NC3=C(N2C)C=CC4=C3C=CC=N4)C(=C)C(F)(F)F

DOS

IR

Vibrations