Geometry & MOs

Info

ID:	169475
PubChem CID:	75108425
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	595.223097
ΔH_f, kcal/mol:	0.23
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-(1-methylpyrazol-4-yl)-2-oxo-N-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C(=C2)N)C3NCNC(=O)N3

DOS

IR

Vibrations