Geometry & MOs

Info

ID:	321563
PubChem CID:	126666617
Reduced:	F3N3O3C16H16 (1)
Stoich.:	A3B3C3D16E16 (1)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	-178.44
Dipole, Da:	3.02
IP(EA), eV:	-9.74(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4S)-2-methyloxan-4-yl]-2-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations