Geometry & MOs

Info

ID:	379262
PubChem CID:	134356953
Reduced:	FN7O10C24H28 (1)
Stoich.:	AB7C10D24E28 (1)
Weight, g/mol:	420.206245
ΔH_f, kcal/mol:	-405.06
Dipole, Da:	4.56
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[7-[6-[(3R)-3-methylpiperazin-1-yl]pyridin-3-yl]imidazo[1,2-a]pyridin-3-yl]quinoline

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)CCC(=O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)F)N=[N+]=[N-]

DOS

IR

Vibrations