Geometry & MOs

Info

ID:	321620
PubChem CID:	126666689
Reduced:	ClO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	0.77
Dipole, Da:	4.24
IP(EA), eV:	-9.13(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(2R,4R)-2-methyloxan-4-yl]-9-(2H-oxadiazol-3-yl)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)Cl)C/C(=N\O)/N

DOS

IR

Vibrations