Geometry & MOs

Info

ID:	439161
PubChem CID:	135228926
Reduced:	NC15H20 (2)
Stoich.:	AB15C20 (2)
Weight, g/mol:	538.171316
ΔH_f, kcal/mol:	43.44
Dipole, Da:	0.95
IP(EA), eV:	-8.16(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-methoxypyridin-3-yl)-5-oxo-1H-pyrazol-3-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

C/C=C(/CC1=CC=CC=C1)\N2CCC(CC2)CCC(C)C3=CC=CC=C3/C(=C/N=CC)/C

DOS

IR

Vibrations