Geometry & MOs

Info

ID:	439212
PubChem CID:	135228978
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	519.165502
ΔH_f, kcal/mol:	-67.36
Dipole, Da:	3.57
IP(EA), eV:	-9.39(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)N1CC(C1)C(CC2C3=CC=CC=C3C4N2C=NC4)O

DOS

IR

Vibrations