Geometry & MOs

Info

ID:	439316
PubChem CID:	135229086
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	505.149852
ΔH_f, kcal/mol:	2.23
Dipole, Da:	6.22
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-oxo-2-phenyl-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

CCC[C@@H](CCO)NC1=NC(=NC=C1CCC2=NN=CC=C2)C

DOS

IR

Vibrations