Geometry & MOs

Info

ID:	80604
PubChem CID:	49835450
Reduced:	N2F3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	412.164774
ΔH_f, kcal/mol:	-337.39
Dipole, Da:	2.15
IP(EA), eV:	-9.89(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1OC2=NC=C(C=C2)C(F)(F)F)C(=O)OC3C4CC5CC3CC(C5)(C4)O

DOS

IR

Vibrations