Geometry & MOs

Info

ID:	321618
PubChem CID:	126666686
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	373.153875
ΔH_f, kcal/mol:	21.89
Dipole, Da:	6.44
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-2-methyloxan-4-yl]-2-(1,2-oxazol-3-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)CC2=NC3=C(N2C4CCOCC4)C5=CC=CC=C5N=C3

DOS

IR

Vibrations