Geometry & MOs

Info

ID:	439218
PubChem CID:	135228984
Reduced:	NC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	533.181152
ΔH_f, kcal/mol:	116.22
Dipole, Da:	4.68
IP(EA), eV:	-8.15(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]naphthalen-1-yl]-3-[2-(4-methylphenyl)-5-oxo-1H-pyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC2=CCC1/C=C\3/C4=C(CCC=C4)C(N3C=N)CC2=C

DOS

IR

Vibrations