Geometry & MOs

Info

ID:	321593
PubChem CID:	126666655
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	-5.27
Dipole, Da:	3.22
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)NC2=C3C=C(C=CC3=NC=C2N)Br

DOS

IR

Vibrations