Geometry & MOs

Info

ID:	439288
PubChem CID:	135229056
Reduced:	O4N5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	494.145101
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	7.58
IP(EA), eV:	-8.35(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]quinolin-5-yl]-3-(5-oxo-2-phenyl-1H-pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CNC1=NC=C(C(=N1)NCCCO)OCC2=NC=CC(=C2OC)OC

DOS

IR

Vibrations