Geometry & MOs

Info

ID:	439321
PubChem CID:	135229091
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	536.155666
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	3.48
IP(EA), eV:	-8.53(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]-3-[4-[(7-oxo-8H-pteridin-4-yl)oxy]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CN1CC=O)OCC2=CC=CC=C2

DOS

IR

Vibrations