Geometry & MOs

Info

ID:	321604
PubChem CID:	126666671
Reduced:	BrFN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	387.180758
ΔH_f, kcal/mol:	-8.79
Dipole, Da:	2.68
IP(EA), eV:	-8.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H]1NC2=C3C=C(C=CC3=NC=C2N)Br)F

DOS

IR

Vibrations