Geometry & MOs

Info

ID:	190901
PubChem CID:	78072952
Reduced:	ClON3C12H13 (2)
Stoich.:	ABC3D12E13 (2)
Weight, g/mol:	464.172752
ΔH_f, kcal/mol:	-49.5
Dipole, Da:	2.95
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopiperidin-1-yl)-3-[(2-chlorophenyl)methyl]-5-methyl-4-oxoimidazo[4,5-c]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)C(=O)N)C3=C(C1=O)N(C(=N3)N4CCCC(C4)N)CC5=CC=CC=C5Cl.Cl

DOS

IR

Vibrations