Geometry & MOs

Info

ID:	327819
PubChem CID:	126691108
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	429.137179
ΔH_f, kcal/mol:	123.21
Dipole, Da:	4.16
IP(EA), eV:	-9.61(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethyl)-1-[(2R,4R)-2-methyloxan-4-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)C#N)CN5C=C(N=N5)C6CC6

DOS

IR

Vibrations