Geometry & MOs

Info

ID:	321581
PubChem CID:	126666640
Reduced:	F2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-30.27
Dipole, Da:	5.22
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[8-methoxy-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(CNC1=C2C=C(C=CC2=NC=C1N)C#N)(F)F

DOS

IR

Vibrations