Geometry & MOs

Info

ID:	80516
PubChem CID:	49834897
Reduced:	ClON7H22C23 (1)
Stoich.:	ABC7D22E23 (1)
Weight, g/mol:	447.157436
ΔH_f, kcal/mol:	66.79
Dipole, Da:	0.28
IP(EA), eV:	-8.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-chloro-5-(ethylamino)pyridin-3-yl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC(=C(N=C5)Cl)N)C(C)C

DOS

IR

Vibrations