Geometry & MOs

Info

ID:	327883
PubChem CID:	126691221
Reduced:	OF2N5H13C18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	11.46
Dipole, Da:	6.01
IP(EA), eV:	-9.41(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC2=NC3=CN=C4C=CC(=CC4=C3N2CC(F)F)C#N

DOS

IR

Vibrations