Geometry & MOs

Info

ID:	427763
PubChem CID:	135162288
Reduced:	O2F3N5C25H30 (1)
Stoich.:	A2B3C5D25E30 (1)
Weight, g/mol:	295.086938
ΔH_f, kcal/mol:	-176.37
Dipole, Da:	9.56
IP(EA), eV:	-8.73(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoroquinolin-6-yl)amino]-1,2-dihydropyrazolo[4,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2CCC(CC2)N3C4=CC=NC(=O)C4=C(N3)NC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations