Geometry & MOs

Info

ID:	327866
PubChem CID:	126691182
Reduced:	ON6H20C22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	86.49
Dipole, Da:	4.01
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=NC=C5

DOS

IR

Vibrations