Geometry & MOs

Info

ID:	327847
PubChem CID:	126691155
Reduced:	O2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	457.16848
ΔH_f, kcal/mol:	59.98
Dipole, Da:	5.79
IP(EA), eV:	-9.4(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC6=CC=CC=C6O5

DOS

IR

Vibrations