Geometry & MOs

Info

ID:	321681
PubChem CID:	126666789
Reduced:	ClO2N4C23H23 (1)
Stoich.:	AB2C4D23E23 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-15.32
Dipole, Da:	3.38
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-3-[2-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C3=C4C=C(C=CC4=NC=C3N=C2C(C5=NC=C(C=C5)C)O)Cl

DOS

IR

Vibrations