Geometry & MOs

Info

ID:	327884
PubChem CID:	126691223
Reduced:	OSN5H19C21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	401.185175
ΔH_f, kcal/mol:	82.47
Dipole, Da:	3.67
IP(EA), eV:	-9.51(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyloxan-4-yl)-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=CN=CS5

DOS

IR

Vibrations