Geometry & MOs

Info

ID:	80537
PubChem CID:	49835023
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	411.180758
ΔH_f, kcal/mol:	23.46
Dipole, Da:	1.45
IP(EA), eV:	-9.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-aminopyridin-3-yl)-1-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=CN=C3CNCCOC3=N2

DOS

IR

Vibrations